SCHEMBL3773776

SCHEMBL3773776

COc1cc2c(cc1OC)CN(c1nc(Cl)nc3ccccc13)CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
GAA P10253 2/20 0.65
MAPT P10636 2/20 0.65
KMT2A Q03164 2/20 0.58
EGFR P00533 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
PDGFRB P09619 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
KDR P35968 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53

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
SCHEMBL9132869 0.87 SMN1; SMN2 (0.69) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL3638202 0.84 GAA (0.63) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL3641060 0.83 GAA (0.62) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL3641040 0.82 GBA1 (0.59) ALDH1A1GAAMAPTKMT2AEGFR
SCHEMBL25488835 0.81 MAOB (0.51) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL9226427 0.80 ALDH1A1 (0.51) ALDH1A1GAAMAPTKMT2ATUBB4A
SCHEMBL7819575 0.77 MAPT (0.55) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL9233031 0.76 REV1 (0.46) ALDH1A1GAAMAPTKMT2ANPC1
SCHEMBL3792399 0.76 MAOB (0.54) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL9008378 0.76 MAOB (0.54) ALDH1A1GAAMAPTKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 ALDH1A1 2522/4885GAA 1009/4885MAPT 4284/4885

“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.