SCHEMBL9613286

SCHEMBL9613286

CC1(C)CC(C)(c2ccccc2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ICMT O60725 16/20 0.50
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL27728281 0.81 TSHR (0.54) TSHRICMTGAAMEN1KMT2A
SCHEMBL10956561 0.80 TSHR (0.41) TSHRICMTGAAMEN1KMT2A
SCHEMBL343450 0.75 ALDH1A1 (0.45) TSHRICMT
SCHEMBL13546073 0.75 TSHR (0.49) TSHRICMTGAAMEN1KMT2A
SCHEMBL19381874 0.72 ALDH1A1 (0.39) TSHRICMT
SCHEMBL13546083 0.72 ICMT (0.67) TSHRICMTMEN1KMT2A
SCHEMBL6439975 0.71 OPRL1 (0.44) GAAMEN1KMT2A
SCHEMBL6439973 0.71 OPRL1 (0.44) GAAMEN1KMT2A
SCHEMBL498014 0.71 OPRM1 (0.50) GAAMEN1KMT2A
SCHEMBL18778704 0.71 POLB (0.41) TSHRICMTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993561-B2 Nitrobenzothiazole derivatives, preparation thereof and therapeutic applications thereof SANOFI (FR) 2015-03-31 US disclosed
US-8993561-B2 Nitrobenzothiazole derivatives, preparation thereof and therapeutic applications thereof SANOFI (FR) 2015-03-31 US disclosed
EP-2643307-B1 NITROBENZOTHIAZOLE DERIVATIVES AND USE THEREOF FOR TREATING TUBERCULOSIS SANOFI SA (FR) 2014-09-17 EP disclosed
US-20130245008-A1 NITROBENZOTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATIONS THEREOF SANOFI (FR) 2013-09-19 US disclosed
US-20130245008-A1 NITROBENZOTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATIONS THEREOF SANOFI (FR) 2013-09-19 US disclosed
WO-2012069743-A1 NITROBENZOTHIAZOLE DERIVATIVES AND USE THEREOF FOR TREATING TUBERCULOSIS SANOFI (FR) 2012-05-31 WO disclosed
US-20100022637-A1 IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-01-28 US disclosed
US-20100022637-A1 IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-01-28 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-20130245008-A1 NITROBENZOTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATIONS THEREOF NDUFB7, NDUFB3, SDHB TSHR 1511/4885ICMT 472/4885GAA 410/4885
US-20100022637-A1 IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF HTT, ATXN2, HDAC6 TSHR 3934/4885ICMT 2904/4885GAA 805/4885

“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.