SCHEMBL16240458

SCHEMBL16240458

O=CNc1c(F)cccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
ERN1 O75460 1/20 0.34
KMT2A Q03164 2/20 0.34
EGFR P00533 1/20 0.34
MAOB P27338 1/20 0.33
CXCR2 P25025 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
DHODH Q02127 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL423087 0.85 ALDH1A1 (0.42) ALDH1A1ERN1KMT2ACA12CA1
SCHEMBL21461560 0.76 GAA (0.45) ALDH1A1HTTKMT2AMAPTLMNA
SCHEMBL21186770 0.76 ERN1 (0.42) ALDH1A1ERN1KMT2AMAOBCA12
SCHEMBL16240433 0.76 TDP1 (0.40) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL7526797 0.73 PTGS2 (0.44) ALDH1A1LMNAGAA
SCHEMBL28740358 0.72 KCNH2 (0.36) ALDH1A1HTTKMT2ACXCR2THRB
SCHEMBL7710214 0.72 KMT2A (0.46) ALDH1A1HTTERN1KMT2ATHRB
SCHEMBL147644 0.72 TSHR (0.38) ALDH1A1HTTKMT2AEGFRMAPT
SCHEMBL22699135 0.72 KMT2A (0.43) ALDH1A1ERN1KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL3712543 0.71 HTT (0.35) ALDH1A1HTTKMT2AEGFRCXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371282-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2016-06-21 US disclosed
US-20140343065-A1 New Somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 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-20140343065-A1 New Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 ALDH1A1 2901/4885HTT 1562/4885ERN1 3274/4885

“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.