SCHEMBL6203764

SCHEMBL6203764

NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
P2RX1 P51575 2/20 0.40
MAPK1 P28482 1/20 0.39
IDO1 P14902 2/20 0.38
KIF11 P52732 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 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 SCHEMBL30321335 0.98 LOXL2 (0.46) LOXL2ALDH1A1CYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL26089707 0.85 TAAR1 (0.46) LOXL2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL2877529 0.83 TSHR (0.50) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL14493293 0.83 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7847044 0.83 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL25077871 0.83 CYP3A4 (0.45) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL31533195 0.83 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL15542723 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL131155 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL545456 0.83 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-07-04 US disclosed
WO-2023121413-A1 NOVEL BICYCLIC HETEROCYCLYL COMPOUND AND USE THEREOF 제일약품주식회사 2023-06-29 WO disclosed
WO-2023116902-A1 SOS1 INHIBITOR 北京望实智慧科技有限公司 2023-06-29 WO disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
CN-101415688-A Quinazolone derivative with B-RAF inhibition activity ASTRAZENECA AB (SE) 2009-04-22 CN disclosed
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 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 (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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B LOXL2 3076/4885ALDH1A1 1016/4885CYP3A4 438/4885
US-20240217967-A1 INDOLINE DERIVATIVES AS DDRS INHIBITORS DDR1, DDR2, DDRGK1 LOXL2 1813/4885ALDH1A1 3751/4885CYP3A4 4869/4885

“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.