SCHEMBL9304866

SCHEMBL9304866

CCOc1ccc2[nH]c(Cl)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.49
ESR2 Q92731 1/20 0.49
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
PDE3B Q13370 1/20 0.46

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
SCHEMBL9304850 0.87 NPC1 (0.61) MAPTHSD17B10HPGDALDH1A1ESR2
SCHEMBL10146397 0.82 HSD17B10 (0.50) MAPTHSD17B10HPGDALDH1A1ESR2
SCHEMBL1193199 0.81 ALDH1A1 (0.48) MAPTHSD17B10HPGDALDH1A1KMT2A
SCHEMBL917237 0.81 HSD17B10 (0.49) MAPTHSD17B10HPGDALDH1A1ESR2
SCHEMBL3064558 0.81 TYMS (0.56) MAPTHSD17B10HPGDALDH1A1ESR2
SCHEMBL17292670 0.79 HSD17B10 (0.47) MAPTHSD17B10HPGDALDH1A1ESR2
SCHEMBL6759195 0.78 MEN1 (0.62) MAPTHSD17B10HPGDALDH1A1ESR2
SCHEMBL9305044 0.77 PDE3B (0.46) HSD17B10HPGDALDH1A1KMT2ANPC1
SCHEMBL7592737 0.77 RAB9A (0.77) MAPTHSD17B10HPGDALDH1A1ESR2
SCHEMBL9597617 0.76 POLB (0.49) MAPTHSD17B10HPGDALDH1A1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802900-B2 Bicyclic heteroaryl compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-20150259296-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2015-09-17 US disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 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-20150259296-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBB, HBG1 MAPT 4667/4885HSD17B10 407/4885HPGD 161/4885

“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.