SCHEMBL7513488

SCHEMBL7513488

N=NNc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PTPN1 P18031 2/20 0.42
PTPN11 Q06124 1/20 0.42
TDP1 Q9NUW8 3/20 0.39
CYP1A2 P05177 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL4572714 0.85
SCHEMBL15382623 0.82 CYP1B1 (0.33) TDP1CYP1A1CYP1B1TSHR
SCHEMBL15782679 0.81 ALDH1A1 (0.62) ALDH1A1TDP1CYP1A2MAPK1HSD17B10
SCHEMBL14342858 0.80 MGLL (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MMP8
SCHEMBL809342 0.78 TDP1 (0.54) ALDH1A1PTPN1PTPN11TDP1CYP1A2
Hydrochloric Acid SCHEMBL2382822 0.76 TDP1 (0.52) ALDH1A1PTPN1PTPN11TDP1CYP1A2
SCHEMBL10882237 0.76 LTA4H (0.50) ALDH1A1SMN1; SMN2HTTMMP8MMP14
SCHEMBL16946575 0.73 MAPK13 (0.60) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL22062132 0.71 CYP1B1 (0.69) ALDH1A1PTPN1PTPN11TDP1MAPK1
SCHEMBL428698 0.71 ALDH1A1 (0.71) ALDH1A1PTPN1PTPN11TDP1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-04-28 US disclosed
US-9227917-B2 Amine-containing lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-05 US disclosed
EP-1165526-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZINES UNIROYAL CHEMICAL COMPANY, Inc. (US) 2002-01-02 EP disclosed
WO-2000061567-A1 METHOD FOR PREPARING SUBSTITUTED TRIAZINES UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-10-19 WO disclosed
US-5990310-A REACTING A PHENYLAZOANILINE WITH A CYANURIC HALIDE AND REDUCING THE PHENYLAZOPHENYLAMINO-S-TRIAZINE TO PRODUCE AN AMINOANILINO-S-TRIAZINE FOLLOWED BY ALKYLATION; OZONE RESISTANCE; ANTISOILANTS; DISCOLORATION INHIBITION UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-11-23 US disclosed
US-4667869-A MIXTURE OF FUSIBLE SOLDER INSERT, FLUX AND THERMOCHROMIC MATERIAL RAYCHEM CORPORATION (US) 1987-05-26 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 (1 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-20160114042-A1 AMINE-CONTAINING LIPIDOIDS AND USES THEREOF ABCB4, PHOSPHO1, SGMS2 ALDH1A1 872/4885PTPN1 2025/4885PTPN11 1818/4885

“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.