SCHEMBL4253528

SCHEMBL4253528

COCCNc1ncc(C(=O)Nc2cccc(Cl)c2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 5/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
GRM4 Q14833 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDR P35968 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
NAMPT P43490 1/20 0.45
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44

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
SCHEMBL3644033 0.93 P4HTM (0.45) P4HTMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13930699 0.89 HTT (0.57) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL4247747 0.89 P4HTM (0.53) P4HTMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3646879 0.87 EPHX1 (0.53) P4HTMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4251689 0.86 P4HTM (0.55) P4HTMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3643499 0.86 P4HTM (0.50) P4HTMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4249317 0.83 HCAR3 (0.59) P4HTMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3642334 0.83 P4HTM (0.58) P4HTMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4255579 0.81 NPC1 (0.55) P4HTMSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13930695 0.81 HTT (0.57) SMN1; SMN2NPC1RAB9AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US claimed
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
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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 (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-20240307361-A1 METHOD FOR DIAGNOSING AND TREATING IRRITABLE BOWEL SYNDROME HRH4, VIPR1, TAAR1 P4HTM 2230/4885SMN1; SMN2 3929/4885NPC1 3272/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 P4HTM 2004/4885SMN1; SMN2 155/4885NPC1 869/4885
US-20240295566-A1 METHOD FOR DIAGNOSING AND TREATING METABOLIC DISORDERS TPH1, GPR119, TAAR1 P4HTM 1591/4885SMN1; SMN2 4137/4885NPC1 935/4885

“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.