SCHEMBL5523501

SCHEMBL5523501

Cc1cccc(C(=O)Cc2ncc[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 4/20 0.44
HTT P42858 4/20 0.43
KDM4E B2RXH2 3/20 0.43
PARP1 P09874 1/20 0.42
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NT5E P21589 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4968860 0.82 GAA (0.61) GAASMN1; SMN2TAAR1HTTKDM4E
Hydrochloric Acid SCHEMBL5851393 0.80 GAA (0.59) GAASMN1; SMN2TAAR1HTTKDM4E
SCHEMBL10701202 0.79 GAA (0.41) GAASMN1; SMN2TAAR1HTTKDM4E
SCHEMBL17303815 0.78 NPC1 (0.59) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL10514214 0.77 PTPN1 (0.50) GAASMN1; SMN2TAAR1HTTKDM4E
Hydrochloric Acid SCHEMBL11445748 0.76 PTPN1 (0.49) GAASMN1; SMN2TAAR1HTTKDM4E
SCHEMBL5722044 0.75 ALDH1A1 (0.45) GAASMN1; SMN2TAAR1KDM4EALDH1A1
SCHEMBL5100101 0.74 TAAR1 (0.44) GAASMN1; SMN2TAAR1HTTKDM4E
SCHEMBL3283228 0.74 RAB9A (0.57) SMN1; SMN2HTTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL5851963 0.73 NPC1 (0.45) SMN1; SMN2HTTKDM4EPARP1CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-6740661-B2 TRICYCLIC IMINE CONTAINING COMPOUNDS HAVING IMIDAZOLE SUBSTITUENT; ANTITUMOR AGENTS SCHERING CORPORATION 2004-05-25 US disclosed
US-6372747-B1 ENZYME INHIBITORS AND ANTICARCINOGENIC AGENTS SCHERING CORPORATION 2002-04-16 US disclosed
EP-1140902-A1 TRICYCLIC FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000037459-A1 TRICYCLIC FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2000-06-29 WO 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS GAA 2181/4885SMN1; SMN2 4808/4885TAAR1 4708/4885

“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.