SCHEMBL16100997

SCHEMBL16100997

O=[N+]([O-])c1cc(Br)ccc1C1=CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.53
HTR6 P50406 6/20 0.45
HTR2A P28223 2/20 0.43
HTR7 P34969 1/20 0.43
S100A4 P26447 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
Hydrochloric Acid SCHEMBL1513499 0.80 HTR2C (0.53) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL4790049 0.80 HTR2C (0.53) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL16095740 0.76 S100A4 (0.41) S100A4TRPV1KDM4EMAPT
SCHEMBL15770800 0.75 HTR2C (0.41) HTR2CHTR6HTR2ASIGMAR1KDM4E
SCHEMBL23291524 0.75 HTR2C (0.60) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL28506378 0.75 HTR2C (0.60) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL31223007 0.75 HTR2C (0.60) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL204357 0.75 S100A4 (0.61) S100A4TRPV1KDM4EALDH1A1MAPT
SCHEMBL16095742 0.73 SLC6A4 (0.52) S100A4TRPV1KDM4EMAPT
SCHEMBL28862143 0.73 ALDH5A1 (0.42) HTR2CHTR6HTR2ASIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 CN disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 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 (3 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 HTR2C 1978/4885HTR6 3475/4885HTR2A 1870/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 HTR2C 1978/4885HTR6 3475/4885HTR2A 1870/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 HTR2C 1978/4885HTR6 3475/4885HTR2A 1870/4885

“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.