SCHEMBL4836722

SCHEMBL4836722

CCn1nc(Cc2ccc(N)cc2)oc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NLRP3 Q96P20 2/20 0.38
ABHD6 Q9BV23 1/20 0.36
TRPA1 O75762 6/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 3/20 0.33
MGLL Q99685 3/20 0.33
LMNA P02545 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL20927553 0.69
SCHEMBL4829316 0.65 TSHR (0.43) SMN1; SMN2NPC1USP2RAB9AMAPK10
SCHEMBL4834228 0.65 SORT1 (0.45) SMN1; SMN2NPC1USP2RAB9AMAPK10
SCHEMBL31043960 0.64 RAB9A (0.49) SMN1; SMN2NPC1USP2RAB9AMAPK10
SCHEMBL4834397 0.64 CNR2 (0.48) SMN1; SMN2CYP3A4ALDH1A1TSHRTDP1
SCHEMBL13217036 0.63
SCHEMBL4831337 0.61 CYP3A4 (0.43) SMN1; SMN2NPC1USP2RAB9AMAPK10
SCHEMBL8094139 0.60 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1KMT2A
SCHEMBL3482770 0.60 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1KMT2A
4,4'-Methylenedianiline SCHEMBL28001 0.60 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 SMN1; SMN2 75/4885NPC1 1170/4885USP2 3283/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 SMN1; SMN2 75/4885NPC1 1170/4885USP2 3283/4885

“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.