SCHEMBL108131

SCHEMBL108131

O=C(Cl)c1ccc(F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
PKM P14618 2/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
F2R P25116 1/20 0.41
KEAP1 Q14145 1/20 0.38
HPGD P15428 1/20 0.38
DGAT1 O75907 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
Benzamide SCHEMBL18921209 0.84 PARP1 (0.47) PKMALDH1A1ALOX15F2RDGAT1
SCHEMBL4649267 0.83 CES2 (0.47) CES2CES1PKMALDH1A1ALOX15
SCHEMBL31315010 0.83 CES2 (0.47) CES2CES1PKMALDH1A1ALOX15
SCHEMBL25270267 0.83 CES2 (0.50) CES2CES1PKMALDH1A1ALOX15
SCHEMBL111637 0.81 KEAP1 (0.53) CES2CES1PKMALDH1A1F2R
SCHEMBL9834572 0.80 CES2 (0.52) CES2CES1ALDH1A1ALOX15KEAP1
SCHEMBL23198421 0.80 FLT1 (0.42) F2R
SCHEMBL20560213 0.79 PKM (0.40) CES2CES1PKMALDH1A1ALOX15
SCHEMBL120277 0.79 F2R (0.48) CES2CES1PKMALDH1A1F2R
SCHEMBL30480694 0.79 F2R (0.48) CES2CES1PKMALDH1A1F2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503416-A A kind of miscellaneous Shandong amine intermediate synthetic method of grace 常州智超化学有限公司 2019-03-22 CN claimed
US-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT INC (US) 2025-12-18 US disclosed
US-12275742-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2025-04-15 US disclosed
US-12077528-B2 Preparation method for deuterated macrocyclic compound SHENZHEN TARGETRX, INC. (CN) 2024-09-03 US disclosed
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN disclosed
US-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2023-06-06 US disclosed
CN-115916196-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2023-04-04 CN disclosed
EP-4146205-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS Nuvalent, Inc. (US) 2023-03-15 EP disclosed
US-20230076627-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2023-03-09 US disclosed
US-20220340586-A9 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT, INC. 2022-10-27 US disclosed
US-6090803-A ANTIDIABETIC AGENTS; INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-18 US disclosed
EP-1000059-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
EP-1000062-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP disclosed
WO-1999006409-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
WO-1999006403-A1 TRICYCLIC VASOPRESSIN AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO disclosed
CN-1031378-C Combating insect infestation in rice ROHM & HAAS (US) 1996-03-27 CN disclosed
CN-1046835-A Go out and remove the method for rice insect pest ROHM & HAAS (US) 1990-11-14 CN disclosed
EP-0124476-B1 CARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1988-06-22 EP disclosed
US-4559349-A TREATMENT OF PHYCHOSIS CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0124476-A1 Carboxamides, process for their preparation and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1984-11-07 EP 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 (6 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-12275742-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, PAICS CES2 205/4885CES1 769/4885PKM 2617/4885
US-11667649-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, PAICS CES2 205/4885CES1 769/4885PKM 2617/4885
US-20230076627-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS CYP2C8, ABCB1, PAICS CES2 205/4885CES1 769/4885PKM 2617/4885
US-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS CYP2C8, ABCB1, PAICS CES2 205/4885CES1 769/4885PKM 2617/4885
US-12077528-B2 Preparation method for deuterated macrocyclic compound CTRC, GCG, SBDS CES2 1885/4885CES1 2606/4885PKM 1459/4885
US-20220340586-A9 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ABCB1, CYP2C8, PAICS CES2 212/4885CES1 804/4885PKM 2543/4885

“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.