SCHEMBL4797986

SCHEMBL4797986

Cc1cc(Oc2ccc([NH])cc2Cl)ncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDR P35968 3/20 0.34
BRAF P15056 2/20 0.34
MAPK14 Q16539 2/20 0.34
TNNI3K Q59H18 2/20 0.34
S1PR4 O95977 4/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32

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
SCHEMBL4797852 0.84 RAF1 (0.38) LMNAALDH1A1NPC1HSP90AA1MAPT
SCHEMBL4797991 0.82 CYP3A4 (0.41) LMNAALDH1A1NPC1HSP90AA1MAPT
SCHEMBL4794799 0.82 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2KDRBRAF
SCHEMBL25469168 0.80 SLC6A2 (0.49) LMNAALDH1A1NPC1HSP90AA1MAPT
SCHEMBL4798748 0.79 OXTR (0.39) LMNAALDH1A1HTTSMN1; SMN2S1PR4
SCHEMBL4799631 0.79 S1PR4 (0.37) ALDH1A1NPC1HTTRAB9AS1PR4
SCHEMBL4798024 0.77 HTT (0.39) LMNAALDH1A1NPC1MAPTMAPK1
SCHEMBL4794746 0.76 GRM2 (0.42) ALDH1A1S1PR4SLC6A2SLC6A4SLC6A3
SCHEMBL4795745 0.76 SMN1; SMN2 (0.46) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4799379 0.75 GRM4 (0.48) ALDH1A1NPC1HTT

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 10 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 claimed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US claimed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP claimed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed
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
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 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 (2 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-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 LMNA 938/4885ALDH1A1 296/4885NPC1 241/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 LMNA 670/4885ALDH1A1 342/4885NPC1 339/4885

“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.