SCHEMBL10133740

SCHEMBL10133740

CNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MYC P01106 1/20 0.54
MAX P61244 1/20 0.54
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IDO1 P14902 1/20 0.47
KDR P35968 1/20 0.46
GPR35 Q9HC97 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 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
SCHEMBL12197689 0.91 MAPT (0.53) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL11009249 0.88 MAPT (0.67) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL15481298 0.85 MAPT (0.56) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL12412637 0.82 ALDH1A1 (0.76) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL12404443 0.81 SMN1; SMN2 (0.71) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL3497679 0.81 MAPT (0.50) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL10509816 0.81 MAPT (0.47) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL12412636 0.81 L3MBTL1 (0.62) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL5438060 0.81 IDO1 (0.70) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL1754979 0.80 MAPT (0.61) MAPTKDM4EMEN1KMT2AMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379561-A1 OPTICAL SYSTEM FOR DISPLAYING THREE DIMENSIONAL IMAGE KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-12-09 US disclosed
US-9399652-B2 Synthetic route to pactamycin and pactamycin analogs THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-07-26 US disclosed
US-20150329570-A1 SYNTHETIC ROUTE TO PACTAMYCIN AND PACTAMYCIN ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-19 US disclosed
WO-2015128272-A2 PHOTO-SELECTIVE METHOD FOR BIOLOGICAL SAMPLE ANALYSIS FIELD VENTANA MEDICAL SYSTEMS, INC. (US) 2015-09-03 WO disclosed
US-8846320-B2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2014-09-30 US disclosed
WO-2012003476-A2 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 WO disclosed
US-8084641-B2 Organocataslysts and methods of use in chemical synthesis STC.UNM (US) 2011-12-27 US disclosed
US-20100184087-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-07-22 US disclosed
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis REGENTS OF THE UNIVERSITY OF NEW MEXICO 2009-04-02 US disclosed
US-4173645-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 US disclosed
US-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 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-20150329570-A1 SYNTHETIC ROUTE TO PACTAMYCIN AND PACTAMYCIN ANALOGS PAICS, DPM1, MANBA MAPT 1818/4885KDM4E 3235/4885MEN1 82/4885
US-20090088588-A1 Organocatalysts and methods of use in chemical synthesis ICMT, PPOX, CYP4F3 MAPT 2645/4885KDM4E 2323/4885MEN1 556/4885

“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.