SCHEMBL75884

SCHEMBL75884

O=C([N]c1ccccc1)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
EPHX1 P07099 1/20 0.54
TSHR P16473 1/20 0.54
EPHX2 P34913 1/20 0.54
CDK9 P50750 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
NAPRT Q6XQN6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
F2 P00734 1/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL77002 0.87 SMN1; SMN2 (0.51) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL10457010 0.79 EPHX2 (0.61) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11650361 0.79 EPHX2 (0.61) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL7980935 0.79 NPC1 (0.59) SMN1; SMN2EPHX1EPHX2MAPTNPC1
SCHEMBL6024478 0.78 MAPT (0.55) SMN1; SMN2TP53TSHRMAPTNPC1
SCHEMBL3175598 0.77 SMN1; SMN2 (0.58) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL5681700 0.77 F2 (0.42) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL5681693 0.76 EPHX2 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL8396654 0.76 TP53 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL5313666 0.76 SMN1; SMN2 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1386 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP claimed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US claimed
US-20040043403-A1 Use of transcription or translation products of genes the expression levels of which correlate with the biological activity of an EGFR tyrosine kinase inhibitor FURST PETER (CH) 2004-03-04 US claimed
EP-1346062-A1 PROCESSES FOR DETERMINING THE BIOLOGICAL ACTIVITY OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2003-09-24 EP claimed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US claimed
WO-2002050306-A1 PROCESSES FOR DETERMINING THE BIOLOGICAL ACTIVITY OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2002-06-27 WO claimed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US claimed
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO claimed
US-6180636-B1 USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-01-30 US claimed
EP-0938486-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-09-01 EP claimed
WO-1999023170-A1 TRIPHENDIOXAZINE COLORANTS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-14 WO claimed
WO-1998007726-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-02-26 WO claimed
US-5047570-A Reacting nitrile with alkanol inpresence of hydrogen halide, then with malodinitrile BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 US claimed
CN-110719907-B Heterocyclic compound and composition containing same 住友化学株式会社 2024-04-05 CN disclosed
WO-2024043261-A1 AZO COMPOUND OR SALT THEREOF, AND POLARIZING FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING SAME 日本化薬株式会社 2024-02-29 WO disclosed
US-4070337-A Bichromophoric benzotriazole-styrene ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1978-01-24 US disclosed
US-4062800-A Bichromophoric benzoxazole-styrene ester and amide ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1977-12-13 US disclosed
US-3981884-A POLYMERS EASTMAN KODAK COMPANY (US) 1976-09-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS SMN1; SMN2 1400/4885TP53 3031/4885EPHX1 2612/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SMN1; SMN2 1689/4885TP53 3914/4885EPHX1 2441/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS SMN1; SMN2 1673/4885TP53 4212/4885EPHX1 2183/4885
US-20040043403-A1 Use of transcription or translation products of genes the expression levels of which correlate with the biological activity of an EGFR tyrosine kinase inhibitor EGFR, ETF1, TCEA1 SMN1; SMN2 4863/4885TP53 175/4885EPHX1 3554/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SMN1; SMN2 1689/4885TP53 3914/4885EPHX1 2441/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.