SCHEMBL1780460

SCHEMBL1780460

CC(N)(CN)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2A6 P11509 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
KEAP1 Q14145 1/20 0.39
CA9 Q16790 2/20 0.38
HTR1B P28222 2/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL24776438 0.85 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4
SCHEMBL7853160 0.84 TAAR1 (0.48) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4
Hydrochloric Acid SCHEMBL7600295 0.83 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4
SCHEMBL7192329 0.81 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4
SCHEMBL4667119 0.80 KIF11 (0.37) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4
SCHEMBL1465980 0.80 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4
SCHEMBL1321899 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4
SCHEMBL30344974 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4
SCHEMBL3681420 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4
SCHEMBL23732409 0.79 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10CYP2A6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268894-B2 Compositions and methods for the treatment of infectious diseases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-09-18 US disclosed
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed
US-20110118307-A1 Compositions and methods for the treatment of infectious diseases GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-05-19 US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 US disclosed
US-20060148904-A1 Anti tubercular drug: compositions and methods SEQUELLA, INC. 2006-07-06 US disclosed
US-20060020041-A1 Anti tubercular drug: compositions and methods SEQUELLA, INC. 2006-01-26 US disclosed
US-6951961-B2 Methods of use and compositions for the diagnosis and treatment of infectious disease GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2005-10-04 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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 (4 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-20110118307-A1 Compositions and methods for the treatment of infectious diseases TERT, C5, ELANE ALDH1A1 1876/4885TSHR 2407/4885HSD17B10 2967/4885
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL ALDH1A1 1029/4885TSHR 2423/4885HSD17B10 3286/4885
US-20060148904-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL ALDH1A1 1277/4885TSHR 3129/4885HSD17B10 3186/4885
US-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL ALDH1A1 1277/4885TSHR 3129/4885HSD17B10 3186/4885

“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.