SCHEMBL296423

SCHEMBL296423

C1=Nc2cc3ccccc3nc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
GLA P06280 2/20 0.46
ACHE P22303 1/20 0.46
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTR3A P46098 1/20 0.36
STAT3 P40763 1/20 0.36
KMT2A Q03164 6/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 3/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL7206323 0.69 MEN1 (0.39) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL10573026 0.67 ALDH1A1 (0.54) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL9572104 0.67 ALDH1A1 (0.48) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL3045498 0.66 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL4972293 0.66 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL1772714 0.66 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL8339 0.66 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL29352289 0.66 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL28981243 0.65 ALDH1A1 (0.52) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL5179394 0.65 ALDH1A1 (0.46) ALDH1A1HPGDMAPTGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210104679-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2021-04-08 US claimed
US-20130065895-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-03-14 US claimed
EP-1483251-B1 C3-CYANO EPOTHILONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-12-23 EP claimed
WO-2008115531-A1 PREVENTION AND TREATMENT OF INFECTIOUS CONDITIONS WITH ACTIVE VITAMIN D COMPOUNDS OR MIMICS THEREOF NOVACEA, INC. (US) 2008-09-25 WO claimed
US-20080069814-A1 Prevention of Thrombotic Disorders with Active Vitamin D Compounds or Mimics Thereof NOVACEA, INC. 2008-03-20 US claimed
WO-2008005560-A2 PREVENTION OF THROMBOTIC DISORDERS WITH ACTIVE VITAMIN D COMPOUNDS NOVACEA, INC. (US) 2008-01-10 WO claimed
US-20070037779-A1 High dosage administered without inducing severe symptomatic hypercalcemia NOVACEA, INC. 2007-02-15 US claimed
EP-1483251-A4 C3-CYANO EPOTHILONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2006-02-08 EP claimed
EP-1483251-A1 C3-CYANO EPOTHILONE DERIVATIVES Bristol-Myers Squibb Company (US) 2004-12-08 EP claimed
US-6719540-B2 3-CYANO SUBSTITUTED MACROLIDE COMPOUNDS POSSESSING ANTI-TUMOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2004-04-13 US claimed
US-20030191089-A1 C3-CYANO EPOTHILONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 US claimed
US-20030186965-A1 C12-cyano epothilone derivatives BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 US claimed
WO-2003077903-A1 C12-CYANO EPOTHILONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-25 WO claimed
WO-2003078411-A1 C3-CYANO EPOTHILONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-25 WO claimed
JP-1246263-A None JP disclosed
WO-2024048435-A1 RESIN COMPOSITION, CURED ARTICLE, LAMINATE, METHOD FOR PRODUCING CURED ARTICLE, METHOD FOR PRODUCING LAMINATE, METHOD FOR PRODUCING SEMICONDUCTOR DEVICE, AND SEMICONDUCTOR DEVICE 富士フイルム株式会社 2024-03-07 WO disclosed
EP-3502159-B1 COMPOSITION AND METHOD FOR THE DEPOSITION OF CONDUCTIVE POLYMERS ON DIELECTRIC SUBSTRATES MACDERMID ENTHONE INC (US) 2023-05-31 EP disclosed
US-5342865-A Solvent system THE DOW CHEMICAL COMPANY (US) 1994-08-30 US disclosed
EP-0567248-A1 Solvent system THE DOW CHEMICAL COMPANY (US) 1993-10-27 EP disclosed
JP-H01246263-A QUINOLINE, QUINAZOLINE AND CINNOLINE BASED FUNGICIDES ELI LILLY & CO 1989-10-02 JP 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 (6 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-20080069814-A1 Prevention of Thrombotic Disorders with Active Vitamin D Compounds or Mimics Thereof CYP24A1, VDR, ADAMTS4 ALDH1A1 1816/4885HPGD 161/4885MAPT 4801/4885
US-20030186965-A1 C12-cyano epothilone derivatives CCNO, CCNT1, CCNA1 ALDH1A1 1443/4885HPGD 152/4885MAPT 4467/4885
US-20130065895-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 ALDH1A1 3879/4885HPGD 2200/4885MAPT 334/4885
US-20070037779-A1 High dosage administered without inducing severe symptomatic hypercalcemia CYP24A1, VDR, PTH1R ALDH1A1 2057/4885HPGD 83/4885MAPT 4811/4885
US-20210104679-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, OR10J3, SLCO2B1 ALDH1A1 931/4885HPGD 2931/4885MAPT 971/4885
US-20030191089-A1 C3-CYANO EPOTHILONE DERIVATIVES HCCS, CCNO, CCNA1 ALDH1A1 1236/4885HPGD 732/4885MAPT 4790/4885

“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.