SCHEMBL4971065

SCHEMBL4971065

Oc1n[nH]c2ccc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.39
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 4/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.38
PDPK1 O15530 1/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
HPRT1 P00492 1/20 0.37
LMNA P02545 1/20 0.37

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
Hydrochloric Acid SCHEMBL4998206 0.98 PTPN22 (0.42) CDK4CCND1RAB9ANPC1PTPN22
SCHEMBL7401300 0.76 KDM4E (0.42) RAB9ANPC1HSD17B10ALDH1A1TSHR
SCHEMBL17306424 0.75 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL11841801 0.72 KIF11 (0.44) RAB9APTPN22HSD17B10ALDH1A1TSHR
SCHEMBL588020 0.72 CNR2 (0.39) RAB9ANPC1HSD17B10ALDH1A1KDM4E
SCHEMBL6556918 0.71 PIM1 (0.43) RAB9ANPC1ALDH1A1TSHRCYP3A4
SCHEMBL276725 0.71 KDM4E (0.58) RAB9ANPC1ALDH1A1KDM4ECYP3A4
SCHEMBL5002402 0.70 TYMS (0.46) CDK4CCND1RAB9ANPC1PTPN22
SCHEMBL492860 0.69 CDK4 (0.53) CDK4CCND1RAB9ANPC1HSD17B10
SCHEMBL30032319 0.69 CDK4 (0.53) CDK4CCND1RAB9ANPC1HSD17B10

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
WO-2008118790-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-02 WO disclosed
US-20080234327-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
US-3987055-A AZASTEROIDS COMPOUNDS AND DERIVATIVES THE BOARD OF REGENTS FOR THE OKLAHOMA AGRICULTURAL & MECHANICAL COLLEGES ACTING FOR AND ON BEHALF OF OKLAHOMA STATE UNIVERSITY OF AGRICULTURE AND APPLIED SCIENCE (US) 1976-10-19 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 CDK4 3283/4885CCND1 1755/4885RAB9A 1254/4885

“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.