SCHEMBL30141515

SCHEMBL30141515

NC(=O)c1cc(Br)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
DGAT1 O75907 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
TSHR P16473 1/20 0.45
MC4R P32245 1/20 0.45
ADRA1A P35348 1/20 0.45
MC3R P41968 1/20 0.45
PARP1 P09874 1/20 0.44
CDC7 O00311 3/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
GRM5 P41594 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL786245 1.00 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2DGAT1ADORA3
SCHEMBL31009108 0.81 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2DGAT1ADORA3
SCHEMBL100727 0.81 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2GRM5L3MBTL1
SCHEMBL29478760 0.79 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2TSHRGRM5
SCHEMBL7436876 0.79 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2PLGPLAU
Hydrochloric Acid SCHEMBL11679600 0.79 KDM4E (0.96) KDM4EALDH1A1SMN1; SMN2GRM5L3MBTL1
SCHEMBL31514843 0.79 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2PLGPLAU
Hydrochloric Acid SCHEMBL4524886 0.79 SMN1; SMN2 (0.57) KDM4EALDH1A1SMN1; SMN2DGAT1PARP1
SCHEMBL12851523 0.79 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2DGAT1PLG
SCHEMBL5700497 0.79 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2TSHRGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661964-A1 COMPOUNDS AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-12-17 EP disclosed
EP-4594308-A1 N-ACRYLOYLMORPHOLINE DERIVATIVES AS KEAP1 MODULATORS AND USES THEREOF Vividion Therapeutics, Inc. (US) 2025-08-06 EP disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
WO-2024165453-A1 COMPOUNDS AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-08-15 WO disclosed
EP-4387609-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 EP disclosed
EP-4355733-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2024-04-24 EP disclosed
WO-2024073587-A1 N-ACRYLOYLMORPHOLINE DERIVATIVES AS KEAP1 MODULATORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
WO-2023023532-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO disclosed
WO-2022263498-A1 SUBSTITUTED PYRAZOLE AMIDES Grünenthal GmbH (DE) 2022-12-22 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 (1 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 KDM4E 3586/4885ALDH1A1 4472/4885SMN1; SMN2 4155/4885

“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.