SCHEMBL7123647

SCHEMBL7123647

CC(CCNC(=O)c1ccc2[nH]c(Cc3nc4cc(CN)ccc4[nH]3)nc2c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.44
RIPK1 Q13546 4/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
NAMPT P43490 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7069837 0.92 ALDH1A1 (0.47) ALDH1A1TP53THRBMAPTHTT
SCHEMBL7068309 0.85 NAMPT (0.50) ALDH1A1TP53THRBTSHRMAPT
SCHEMBL7074425 0.83 ALDH1A1 (0.46) ALDH1A1THRBTSHRMAPTHTT
SCHEMBL7069769 0.83 POLB (0.50) ALDH1A1HTTPOLBNAMPTSMN1; SMN2
SCHEMBL7070258 0.83 PLAU (0.53) ALDH1A1THRBTSHRMAPK10MAPT
SCHEMBL7071815 0.83 ALDH1A1 (0.44) ALDH1A1THRBMAPTHTTPOLB
SCHEMBL7400914 0.82 HDAC6 (0.49) ALDH1A1MAPTHTTPOLBNAMPT
SCHEMBL7075759 0.81 FLT3 (0.49) ALDH1A1HTTPOLB
SCHEMBL7075818 0.81 NPC1 (0.55) ALDH1A1TP53THRBTSHRMAPT
SCHEMBL7073255 0.81 KMT2A (0.53) ALDH1A1MAPTLMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 ALDH1A1 1860/4885TP53 3162/4885RIPK1 1789/4885

“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.