SCHEMBL8686458

SCHEMBL8686458

Nc1cccc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 5/20 0.52
CYP3A4 P08684 4/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP2 O95551 1/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46

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
SCHEMBL29715187 1.00 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL31447779 0.86 TDP1 (0.52) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL8686354 0.86 TDP1 (0.52) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL27286335 0.84 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL29450699 0.81 MEN1 (0.65) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL29903883 0.81 MEN1 (0.65) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL8623371 0.81 MEN1 (0.65) ALDH1A1TDP1CYP3A4TSHRLMNA
SCHEMBL187061 0.80 ALDH1A1 (0.63) ALDH1A1TDP1TSHRLMNAMEN1
SCHEMBL4958995 0.79 TSHR (0.52) ALDH1A1TSHRLMNAGAATHRB
SCHEMBL9719317 0.79 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590105-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2026-03-31 US disclosed
US-20240025916-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2024-01-25 US disclosed
CN-116528868-A Tricyclic KRAS G12C inhibitors 伊莱利利公司 2023-08-01 CN disclosed
EP-2415756-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-5811492-A HAVING EXCELLENT HEAT, FIRE, CHEMICAL AND IMPACT RESISTANCE, MECHANICAL STRENGTH, AND MOLDABILITY; CONTAINING AMINO GROUPS, HYDROGENATED BLOCK COPOLYMER AND A POLYAMIDE RESIN GENERAL ELECTRIC COMPANY (US) 1998-09-22 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-20240025916-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ALDH1A1 2669/4885TDP1 3107/4885CYP3A4 4113/4885
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP ALDH1A1 1013/4885TDP1 945/4885CYP3A4 1245/4885
US-12590105-B2 KRas G12C inhibitors KRAS, NRAS, HRAS ALDH1A1 2890/4885TDP1 3561/4885CYP3A4 2429/4885

“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.