SCHEMBL3165921

SCHEMBL3165921

O=C(COc1ccc(F)cc1)Nc1nc2c(s1)CCCC2C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.66
▸ RAB9A P51151 3/20 0.66
▸ MAPT P10636 8/20 0.57
▸ THRB P10828 1/20 0.49
▸ TP53 P04637 5/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 3/20 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
SCHEMBL3172806 0.91 RAB9A (0.66) NPC1RAB9AMAPTTHRBTP53
SCHEMBL3162896 0.84 NPC1 (0.54) NPC1RAB9AMAPTTHRBTP53
SCHEMBL4799692 0.80 NPC1 (0.51) NPC1RAB9AMAPTTHRBTP53
SCHEMBL3172485 0.78 LMNA (0.43) NPC1RAB9AMAPTTHRBTP53
SCHEMBL3173967 0.77 RAB9A (0.64) NPC1RAB9AMAPTTHRBTP53
SCHEMBL4804670 0.75 NPC1 (0.46) NPC1RAB9AMAPTTHRBTP53
SCHEMBL3172964 0.75 PARP1 (0.47) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL3172349 0.75 ADORA3 (0.50) NPC1RAB9AMAPTTP53L3MBTL1
SCHEMBL3166045 0.75 RAB9A (0.53) NPC1RAB9AMAPTTHRBTP53
SCHEMBL3166048 0.74 CSNK1D (0.51) MAPTTHRBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 — — EP claimed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 — — US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 — — 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 NPC1 2506/4885RAB9A 3147/4885MAPT 379/4885

“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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