SCHEMBL5002402

SCHEMBL5002402

Oc1[nH]nc2ccc3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
LDHA P00338 1/20 0.38
ERN1 O75460 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
SCHEMBL28704783 0.78 TYMS (0.44) TYMSKMT2AMEN1CYP3A4TDP1
SCHEMBL28690604 0.78 TYMS (0.50) TYMSKMT2AMEN1CYP3A4TDP1
SCHEMBL728920 0.73 ERN1 (0.45) ALDH1A1HSD17B10MAPTKDM4ECDK4
SCHEMBL16178927 0.71 CYP1A2 (0.56) KMT2ACYP3A4TDP1ALDH1A1TSHR
SCHEMBL4971065 0.70 CDK4 (0.40) CYP3A4PTPN22TDP1ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL30262984 0.70 CYP1A2 (0.54) KMT2ACYP3A4ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL4998206 0.69 PTPN22 (0.42) KMT2AMEN1CYP3A4PTPN22TDP1
SCHEMBL15797613 0.69 SMN1; SMN2 (0.43) TYMSKMT2AMEN1CYP3A4TDP1
SCHEMBL15545385 0.69 HSD17B10 (0.52) TYMSKMT2AMEN1CYP3A4PTPN22
SCHEMBL8886826 0.68 CDK4 (0.50) TYMSKMT2AMEN1CYP3A4ABCG2

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-20080234327-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234327-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC40A1, HAMP TYMS 1091/4885KMT2A 1932/4885MEN1 691/4885

“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.