SCHEMBL4796671

SCHEMBL4796671

COc1c([NH])cccc1Oc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TGFBR1 P36897 1/20 0.44
BRAF P15056 1/20 0.43
CYP19A1 P11511 3/20 0.40
POLB P06746 1/20 0.39
PPARD Q03181 1/20 0.39
KMT2A Q03164 3/20 0.38
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL4133572 0.86 TGFBR1 (0.53) LMNATDP1ALDH1A1SMN1; SMN2TGFBR1
SCHEMBL4130798 0.79 LMNA (0.56) LMNATDP1ALDH1A1SMN1; SMN2TGFBR1
SCHEMBL11573009 0.77 ALDH1A1 (0.59) LMNATDP1ALDH1A1SMN1; SMN2TGFBR1
SCHEMBL4797424 0.73 SMN1; SMN2 (0.51) LMNATDP1ALDH1A1SMN1; SMN2TGFBR1
SCHEMBL4801989 0.73 LMNA (0.57) LMNATDP1ALDH1A1SMN1; SMN2TGFBR1
SCHEMBL1802739 0.72 SMN1; SMN2 (0.50) LMNAALDH1A1SMN1; SMN2CYP19A1KMT2A
SCHEMBL11457992 0.70 LMNA (0.81) LMNATDP1ALDH1A1SMN1; SMN2TGFBR1
SCHEMBL9922005 0.70 LMNA (0.53) LMNATDP1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL29441943 0.70
SCHEMBL162478 0.70

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-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 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 (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-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 LMNA 670/4885TDP1 979/4885ALDH1A1 342/4885

“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.