SCHEMBL31535489

SCHEMBL31535489

CNCCOc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.53
▸ HTR1A P08908 6/20 0.53
▸ HTT P42858 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ RAD52 P43351 1/20 0.49
▸ IP6K1 Q92551 2/20 0.48
▸ DRD2 P14416 5/20 0.47
▸ HTR7 P34969 5/20 0.47
▸ HTR6 P50406 5/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.45

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
SCHEMBL29244625 1.00 HTR2A (0.53) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL29244529 0.89 KMT2A (0.47) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL30278038 0.89 KMT2A (0.47) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL29244482 0.89 KMT2A (0.50) HTR2AHTR1AHTTKMT2APOLB
Hydrochloric Acid SCHEMBL30278098 0.88 KMT2A (0.49) HTR2AHTR1AHTTKMT2APOLB
SCHEMBL29244437 0.87 KMT2A (0.47) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL27253699 0.86 HTR2A (0.52) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL30278019 0.86 HTR2A (0.52) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL29244432 0.84 KMT2A (0.47) HTR2AHTR1AHTTKDM4EALDH1A1
SCHEMBL29244477 0.84 KMT2A (0.47) HTR2AHTR1AHTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396191-B1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2026-02-18 — — EP disclosed
US-20250129092-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-04-24 — — 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 (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-20250129092-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING AHR, ARNT, AIPL1 HTR2A 655/4885HTR1A 598/4885HTT 690/4885

“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.

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