SCHEMBL16268530

SCHEMBL16268530

NCCCc1c(Br)cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 6/20 0.45
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CTSB P07858 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
NOS1 P29475 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL29704492 0.83 TDP1 (0.45) KAT2BTDP1TSHRSMN1; SMN2GPR35
SCHEMBL1161844 0.83 TDP1 (0.45) KAT2BTDP1TSHRSMN1; SMN2GPR35
SCHEMBL3631146 0.82 KAT2B (0.46) KAT2BTDP1TSHRSMN1; SMN2GPR35
SCHEMBL3632329 0.82 TSHR (0.53) KAT2BTDP1TSHRSMN1; SMN2GPR35
SCHEMBL3631215 0.81 ALDH1A1 (0.50) KAT2BTDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL7643805 0.80 GPR35 (0.46) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL30714381 0.80 TDP1 (0.46) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL162263 0.78 TDP1 (0.47) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL29704507 0.78 TDP1 (0.47) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL6118566 0.77 TDP1 (0.50) KAT2BTDP1TSHRSMN1; SMN2GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 WO 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 KAT2B 2024/4885TDP1 4429/4885TSHR 294/4885

“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.