SCHEMBL8400543

SCHEMBL8400543

Fc1nc2ccccc2cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
GLA P06280 2/20 0.52
MAPT P10636 1/20 0.52
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.41
BIRC5 O15392 1/20 0.41
MBNL1 Q9NR56 1/20 0.41
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HTR3A P46098 1/20 0.39
STAT3 P40763 1/20 0.39
NQO2 P16083 3/20 0.39
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
PTBP1 P26599 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL30106733 0.78 ALDH1A1 (0.46) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL28842468 0.78 ALDH1A1 (0.46) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL2172354 0.77 ALDH1A1 (0.56) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL2596089 0.77 TDP1 (0.63) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL30511098 0.77 TDP1 (0.63) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL6849143 0.74 ALDH1A1 (0.59) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL8788171 0.74 ALDH1A1 (0.52) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL13257886 0.74 TDP1 (0.59) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL1767846 0.74 KMT2A (0.55) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL31413219 0.74 ALDH1A1 (0.52) ALDH1A1HPGDGLAMAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed
CN-119546580-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-02-28 CN disclosed
EP-4511115-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023205468-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205468-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
EP-0799207-B1 PROCESS FOR THE PREPARATION OF FLUORINATED HETEROCYCLIC COMPOUNDS F2 CHEMICALS LIMITED (GB) 1999-06-09 EP disclosed
US-5859255-A Process for the preparation of fluorinated heterocyclic compounds F2 CHEMICALS LTD. (GB) 1999-01-12 US disclosed
CN-1170406-A Preparation of fluorinated heterocyclic compounds F2 CHEMICAL PRODUCTS LTD (GB) 1998-01-14 CN disclosed
EP-0799207-A1 PROCESS FOR THE PREPARATION OF FLUORINATED HETEROCYCLIC COMPOUNDS BNFL FLUOROCHEMICALS LTD. (GB) 1997-10-08 EP disclosed
WO-1996019456-A1 PROCESS FOR THE PREPARATION OF FLUORINATED HETEROCYCLIC COMPOUNDS BNFL FLUOROCHEMICALS LTD. (GB) 1996-06-27 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 (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-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN8A, SCN1B, SCN3A ALDH1A1 2279/4885HPGD 2534/4885GLA 2962/4885
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885HPGD 546/4885GLA 2939/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885HPGD 546/4885GLA 2939/4885

“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.