SCHEMBL5531301

SCHEMBL5531301

c1ccc2c(c1)nc1n2CCO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
HTR3A P46098 2/20 0.44
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 3/20 0.41
NPC1 O15118 3/20 0.41
PKM P14618 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL11507109 0.89 KMT2A (0.54) KMT2AHTR3ARAB9ASMN1; SMN2TSHR
SCHEMBL11116011 0.76 KMT2A (1.00) KMT2ARAB9ASMN1; SMN2TSHRNPC1
SCHEMBL6514777 0.74 PIK3CA (0.57) KMT2ARAB9ASMN1; SMN2TSHRNPC1
SCHEMBL1511265 0.73 KDM4E (0.43) KMT2AKDM4EPIK3CAPIK3CBPIK3CG
SCHEMBL839535 0.71 TP53 (0.54) RAB9ASMN1; SMN2TSHRNPC1TP53
SCHEMBL14244949 0.71 TSHR (0.39) KMT2AHTR3ARAB9ASMN1; SMN2TSHR
SCHEMBL24329889 0.67 KMT2A (0.39) KMT2AHTR3A
SCHEMBL29729430 0.67 KMT2A (0.39) KMT2AHTR3ATSHRNPC1HSD17B10
SCHEMBL29608705 0.67 KMT2A (0.39) KMT2AHTR3A
SCHEMBL23042465 0.67 PIK3CA (0.40) KMT2AHTR3ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-04 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-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors DDC, AADAC, ALDH7A1 KMT2A 1687/4885HTR3A 1247/4885RAB9A 2074/4885

“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.