SCHEMBL9995995

SCHEMBL9995995

Cc1nc(C(=O)O)sc1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GPR35 Q9HC97 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PKM P14618 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
POLB P06746 1/20 0.32
DAO P14920 1/20 0.31
CTSA P10619 1/20 0.31

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
SCHEMBL18355569 0.84 SMN1; SMN2 (0.37) ALDH1A1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL16751925 0.81 ALDH1A1 (0.34) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL2592035 0.78 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL12894510 0.78 ALDH1A1 (0.45) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL11833656 0.77 ALDH1A1 (0.42) ALDH1A1HPGDTSHRGPR35SMN1; SMN2
SCHEMBL18356097 0.76 GSK3B (0.43) ALDH1A1HPGDTSHRMAPT
SCHEMBL3655946 0.76 ALDH1A1 (0.61) ALDH1A1HPGDTSHRGPR35SMN1; SMN2
SCHEMBL289991 0.75 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL34473107 0.74 CASP3 (0.32)
SCHEMBL560401 0.74 GPR35 (0.40) ALDH1A1HPGDTSHRGPR35SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720041-A2 N-(1H-INDOL-2-YL)METHYL)-4-ETHYNYL-PICOLINAMIDE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Allorion Therapeutics Inc (US) 2026-04-08 EP disclosed
US-20250026763-A1 EGFR INHIBITORS AND METHODS OF USE THEREOF Allorion Therapeutics Inc 2025-01-23 US disclosed
WO-2024240241-A2 EGFR INHIBITORS AND METHODS OF USE THEREOF Allorion Therapeutics Inc (US) 2024-11-28 WO disclosed
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN disclosed
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
EP-3468971-B1 NEW (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-02-19 EP disclosed
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-05-16 US disclosed
EP-3468971-A1 NEW (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2019-04-17 EP disclosed
CN-109563094-A Acyclic derivatives, their preparation method and the pharmaceutical composition containing them that new (miscellaneous) aryl replaces 法国施维雅药厂 2019-04-02 CN disclosed
US-8765797-B2 TG2 inhibitors and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-01 US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 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-20250026763-A1 EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB3, ERBB2 ALDH1A1 4536/4885HPGD 4268/4885TSHR 621/4885
US-20190144449-A1 (HETERO)ARYL-SUBSTITUTED-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, BCL2, CCNK ALDH1A1 1524/4885HPGD 473/4885TSHR 3542/4885
US-10654849-B2 (Hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CCNK ALDH1A1 1524/4885HPGD 473/4885TSHR 3542/4885

“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.