SCHEMBL414371

SCHEMBL414371

Fc1cc(Br)cc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.38
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CHRM5 P08912 1/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 2/20 0.31
DGAT1 O75907 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL585514 0.86 CHRM5 (0.33) NMT1CYP3A4ALDH1A1TDP1TSHR
SCHEMBL10872330 0.80 ALDH1A1 (0.53) NMT1CYP3A4ALDH1A1TDP1HPGD
SCHEMBL793988 0.79 NMT1 (0.38) NMT1ALDH1A1TDP1LMNAKMT2A
SCHEMBL31619139 0.79 CYP3A4 (0.38) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL3208926 0.79 CYP3A4 (0.38) CYP3A4ALDH1A1TDP1TSHRLMNA
SCHEMBL14956328 0.79 NMT1 (0.38) NMT1ALDH1A1TDP1LMNAKMT2A
SCHEMBL26234359 0.77 NMT1 (0.37) NMT1ALDH1A1TDP1LMNAKMT2A
SCHEMBL29745432 0.75 CYP3A4 (0.37) CYP3A4
SCHEMBL528819 0.75 TSHR (0.40) NMT1CYP3A4ALDH1A1TDP1HPGD
SCHEMBL29227282 0.75 GRIN2D (0.31)

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658763-A Preparation method of 5-bromo-1, 2-dichloro-3-fluorobenzene 棓诺(苏州)新材料有限公司 2024-03-08 CN claimed
US-20260022100-A1 NAV1.8 INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2026-01-22 US disclosed
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-07-29 US disclosed
EP-4545517-A1 NAV1.8 INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-04-30 EP disclosed
US-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-12-05 US disclosed
US-20240246979-A1 cGAS INHIBITORS ELI LILLY AND COMPANY 2024-07-25 US disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
CN-117658763-A Preparation method of 5-bromo-1, 2-dichloro-3-fluorobenzene 棓诺(苏州)新材料有限公司 2024-03-08 CN disclosed
CN-117658763-A Preparation method of 5-bromo-1, 2-dichloro-3-fluorobenzene 棓诺(苏州)新材料有限公司 2024-03-08 CN disclosed
CN-117658763-A Preparation method of 5-bromo-1, 2-dichloro-3-fluorobenzene 棓诺(苏州)新材料有限公司 2024-03-08 CN disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
EP-2102157-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008074703-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
WO-2008074703-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 US disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 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 (7 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-20240400617-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS NMT1 1169/4885CYP3A4 4653/4885ALDH1A1 4838/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR NMT1 4354/4885CYP3A4 123/4885ALDH1A1 447/4885
US-20260022100-A1 NAV1.8 INHIBITOR SCN8A, SCN1B, SCN1A NMT1 462/4885CYP3A4 700/4885ALDH1A1 853/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C NMT1 3755/4885CYP3A4 292/4885ALDH1A1 861/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS NMT1 1417/4885CYP3A4 3438/4885ALDH1A1 4861/4885
US-20240246979-A1 cGAS INHIBITORS CGAS, STING1, IRF3 NMT1 1348/4885CYP3A4 3788/4885ALDH1A1 4299/4885
US-12371454-B2 Cyclic peptide compound having Kras inhibitory action KRAS, NRAS, HRAS NMT1 1169/4885CYP3A4 4653/4885ALDH1A1 4838/4885

“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.