SCHEMBL1949784

SCHEMBL1949784

Brc1ccccc1-c1ncon1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
MAPK1 P28482 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PBRM1 Q86U86 1/20 0.43
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 5/20 0.39
PPARA Q07869 1/20 0.38
AHR P35869 1/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
CASP6 P55212 1/20 0.35
IDO1 P14902 1/20 0.35
LMNA P02545 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL18190628 0.82 S1PR1 (0.44) RAB9AMAPK1SMN1; SMN2TP53MAPT
SCHEMBL8722639 0.76 ALDH1A1 (0.46) RAB9ASMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL5475553 0.76 CASP3 (0.52) RAB9AMAPK1SMN1; SMN2MAPTNFKB1
SCHEMBL4337968 0.76 NPC1 (0.45) RAB9AMAPK1SMN1; SMN2TP53MAPT
SCHEMBL10396259 0.76 NPC1 (0.44) RAB9ASMN1; SMN2TP53L3MBTL1ALDH1A1
SCHEMBL30584864 0.76 NPC1 (0.44) RAB9ASMN1; SMN2TP53L3MBTL1ALDH1A1
SCHEMBL6422966 0.73 KDM4E (0.47) RAB9AMAPK1SMN1; SMN2TP53MAPT
SCHEMBL22455491 0.72 CASP6 (0.33) PPARACASP6
SCHEMBL21352408 0.72 CASP6 (0.36) PPARACASP6
SCHEMBL15332604 0.72 LMNA (0.41) SMN1; SMN2ALDH1A1PPARAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
EP-2507232-B1 PROLINE DERIVATIVES NATIONAL HEALTH RES INST (TW) 2019-03-20 EP disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
CN-102482269-B Proline derivatives NATIONAL HEALTH RESEARCH INSTITUTES (CN) 2015-07-29 CN disclosed
US-8415482-B2 Proline derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-04-09 US disclosed
CN-102482269-A Proline derivatives NAT HEALTH RESEARCH INSTITUTES 2012-05-30 CN disclosed
US-20110136799-A1 PROLINE DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-06-09 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 (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-20110136799-A1 PROLINE DERIVATIVES PNISR, ARGLU1, PRR12 RAB9A 291/4885MAPK1 3047/4885SMN1; SMN2 3364/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 RAB9A 2634/4885MAPK1 2637/4885SMN1; SMN2 4243/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 RAB9A 2634/4885MAPK1 2637/4885SMN1; SMN2 4243/4885

“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.