SCHEMBL873711

SCHEMBL873711

CCOc1ccc(Br)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
AR P10275 1/20 0.46
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CDK2 P24941 1/20 0.45
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
MEN1 O00255 1/20 0.42
STK17B O94768 1/20 0.42

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
SCHEMBL29098925 0.85 HPGD (0.59) HPGDTSHRKMT2ALMNARAB9A
SCHEMBL282961 0.84 ALDH1A1 (0.56) HPGDTSHRKMT2ALMNARAB9A
SCHEMBL14537818 0.83 SMN1; SMN2 (0.52) HPGDTSHRKMT2ALMNARAB9A
SCHEMBL182753 0.81 TSHR (0.56) HPGDTSHRKMT2ALMNARAB9A
SCHEMBL31096231 0.81 TSHR (0.56) HPGDTSHRKMT2ALMNARAB9A
SCHEMBL128396 0.81 ALOX15 (0.42) HPGDTSHRKMT2ALMNASMN1; SMN2
SCHEMBL29098919 0.80 SMN1; SMN2 (0.52) HPGDKMT2ALMNARAB9ASMN1; SMN2
SCHEMBL1477520 0.79 PDE4A (0.49) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL1847263 0.79 ALDH1A1 (0.58) HPGDTSHRKMT2ALMNARAB9A
SCHEMBL22636101 0.78 AAK1 (0.42) HPGDTSHRRAB9ASMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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 (2 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HPGD 1811/4885TSHR 1745/4885KMT2A 2021/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D HPGD 1811/4885TSHR 1745/4885KMT2A 2021/4885

“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.