SCHEMBL4372664

SCHEMBL4372664

O=CN/C(C(=O)O)=C1/CCCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NOTUM Q6P988 2/20 0.40
GAA P10253 3/20 0.39
MAPT P10636 5/20 0.39
MIF P14174 2/20 0.39
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
RXRA P19793 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
SRD5A1 P18405 1/20 0.36

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
SCHEMBL4372666 1.00 CYP2A6 (0.41) CYP2A6MAOAMAOBNOTUMGAA
SCHEMBL13581411 0.80 SMN1; SMN2 (0.46) GAAMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL15520895 0.70 CYP2A6 (0.43) CYP2A6MAOAMAOBNOTUMGAA
SCHEMBL15520897 0.70 CYP2A6 (0.43) CYP2A6MAOAMAOBNOTUMGAA
SCHEMBL7950259 0.68 MAOA (0.44) CYP2A6MAOAMAOBNOTUMGAA
SCHEMBL829776 0.67 L3MBTL1 (0.40) CYP2A6MAOAMAOBGAAMAPT
SCHEMBL22096928 0.66 LMNA (0.49) CYP2A6MAOAMAOBNOTUMGAA
SCHEMBL8923632 0.65 RXRA (0.60) CYP2A6MAOAMAOBNOTUMMAPT
SCHEMBL12629637 0.65 RXRA (0.60) CYP2A6MAOAMAOBNOTUMMAPT
SCHEMBL8923628 0.65 RXRA (0.60) CYP2A6MAOAMAOBNOTUMMAPT

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-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR CYP2A6 1973/4885MAOA 2439/4885MAOB 777/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR CYP2A6 1973/4885MAOA 2439/4885MAOB 777/4885

“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.