SCHEMBL177000

SCHEMBL177000

Cc1cc(C)cc(C)c1.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.[Ru]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HTT P42858 2/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
HPN P05981 2/20 0.44
PLAU P00749 1/20 0.44
CA7 P43166 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7521944 1.00 NPSR1 (0.52) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL4859034 1.00 NPSR1 (0.52) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL7092708 0.96 NPSR1 (0.51) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL2840439 0.96 NPSR1 (0.51) NPSR1ALDH1A1HTTSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL19716224 0.96 NPSR1 (0.51) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL2844278 0.96 NPSR1 (0.51) NPSR1ALDH1A1HTTSLC1A3SLC1A2
P-Xylene SCHEMBL5424500 0.96 ALDH1A1 (0.52) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL28382647 0.96 ALDH1A1 (0.52) NPSR1ALDH1A1HTTSLC1A3SLC1A2
SCHEMBL3342411 0.96 ALDH1A1 (0.52) NPSR1ALDH1A1HTTSLC1A3SLC1A2
P-Xylene SCHEMBL5421492 0.96 ALDH1A1 (0.52) NPSR1ALDH1A1HTTSLC1A3SLC1A2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181217-B2 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-11-10 US disclosed
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-04 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
US-20100222404-A1 INDAZOLE DERIVATIVE DIHYDROCHLORIDE ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-02 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
EP-1512678-A1 Process for preparing optically active nitro compounds and cyano compounds Kanto Kagaku Kabushiki Kaisha (JP) 2005-03-09 EP disclosed
US-20040176616-A1 Process for producing optically active compound KANTO KAGAKU KABUSHIKI KAISHA 2004-09-09 US disclosed
US-6696573-B1 SYNTHESIS OF SUCH AS 2-(N-(2-(9H-CARBAZOL-2-YLOXY)ETHYL))-AMINO-1-((3 -METHYLSULFONYLAMINO)PHENYL)ETHANOL WITH ENHANCED OPTICAL PURITY ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-02-24 US disclosed
US-6686505-B2 HYDROGENATION OF NITRO KETONE OR CYANO KETONE IN PRESENCE OF TRANSITION METAL COMPOUND CATALYST; AMINATION KANTO KAGUKU KABUSHIKI KAISHA (JP) 2004-02-03 US disclosed
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
US-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-11 US disclosed
EP-1308435-A2 Process for producing optically active amino alcohols Kanto Kagaku Kabushiki Kaisha (JP) 2003-05-07 EP disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 EP disclosed
EP-1195371-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-04-10 EP disclosed
EP-1174426-A1 METHOD FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES THROUGH AZIDES Asahi Kasei Kabushiki Kaisha (JP) 2002-01-23 EP 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 (7 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-20030171592-A1 Process for producing optically active amino alcohols and intermediates therefore ADH1A, NOS1, ADH5 NPSR1 1710/4885ALDH1A1 151/4885HTT 4114/4885
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND HRH1, HRH4, RB1 NPSR1 595/4885ALDH1A1 343/4885HTT 3835/4885
US-20100222404-A1 INDAZOLE DERIVATIVE DIHYDROCHLORIDE SFN, IDH3A, SRI NPSR1 3494/4885ALDH1A1 2673/4885HTT 252/4885
US-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ADH1A, ADH1C, OXER1 NPSR1 755/4885ALDH1A1 80/4885HTT 2663/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 NPSR1 330/4885ALDH1A1 160/4885HTT 3141/4885
US-20040176616-A1 Process for producing optically active compound OSTC, NPEPPS, PPOX NPSR1 3017/4885ALDH1A1 3566/4885HTT 3491/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A NPSR1 278/4885ALDH1A1 131/4885HTT 3085/4885

“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.