SCHEMBL4182986

SCHEMBL4182986

O=C(Oc1cccc(Cl)c1[N+](=O)[O-])c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.45
PTK2B Q14289 1/20 0.44
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL8204774 0.81 HPGD (0.67) ESR1ESR2HPGDHSD17B10ALDH1A1
SCHEMBL10785217 0.80 ESR1 (0.64) ESR1ESR2HPGDHSD17B10ALDH1A1
SCHEMBL10782877 0.79 ALDH1A1 (0.59) HPGDHSD17B10ALDH1A1KDM4EKMT2A
SCHEMBL10499780 0.77 ACHE (0.44) ESR1HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL4182982 0.75 HTT (0.49) HPGDALDH1A1KMT2APOLBMEN1
SCHEMBL3834888 0.75 KCNMA1 (0.58) ESR1ESR2HPGDHSD17B10ALDH1A1
SCHEMBL3405509 0.75 ALDH1A1 (0.46) HPGDALDH1A1KMT2APOLBMEN1
SCHEMBL8209348 0.75 HPGD (0.58) ESR1ESR2HPGDHSD17B10ALDH1A1
SCHEMBL11876495 0.74 TLR8 (0.41) HPGDALDH1A1KDM4EKMT2APOLB
SCHEMBL10686808 0.74 HSD17B10 (0.71) ESR1ESR2HPGDHSD17B10ALDH1A1

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-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2009-06-11 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-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A ESR1 873/4885ESR2 459/4885HPGD 2345/4885

“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.