SCHEMBL31107158

SCHEMBL31107158

COc1cccc(NC(=O)c2cnc(N3CCCCC3)c(Cl)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 2/20 0.63
▸ JAK2 O60674 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ MAPT P10636 4/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ QSOX1 O00391 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ SLC2A1 P11166 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KCNQ3 O43525 1/20 0.52

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
SCHEMBL13930702 1.00 P2RY12 (0.63) P2RY12JAK2HSD17B10MAPTKDM4E
SCHEMBL3647806 0.99 P2RY12 (0.64) P2RY12JAK2HSD17B10MAPTKDM4E
SCHEMBL3688898 0.96 P2RY12 (0.59) P2RY12JAK2HSD17B10MAPTKDM4E
SCHEMBL13930706 0.89 P2RY12 (0.60) P2RY12JAK2MAPTKDM4EHTT
SCHEMBL31107153 0.89 P2RY12 (0.60) P2RY12JAK2MAPTKDM4EHTT
SCHEMBL13930624 0.86 SLC2A1 (0.67) P2RY12MAPTNPC1RAB9AALDH1A1
SCHEMBL31107157 0.86 SLC2A1 (0.67) P2RY12MAPTNPC1RAB9AALDH1A1
SCHEMBL3677907 0.85 SLC2A1 (0.68) P2RY12NPC1RAB9AALDH1A1LMNA
SCHEMBL3676610 0.84 TAAR1 (0.59) JAK2HSD17B10MAPTPOLBNPC1
SCHEMBL13930689 0.83 MAPT (0.70) HSD17B10MAPTKDM4EHTTNPC1

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
US-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-19 — — US disclosed
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS Centre for Chinese Herbal Medicine Drug Development Limited (CN) 2024-09-05 — — 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 (2 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-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME HRH4, VIPR1, TAAR1 P2RY12 1169/4885JAK2 3810/4885HSD17B10 3147/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 P2RY12 1964/4885JAK2 3545/4885HSD17B10 974/4885

“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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