SCHEMBL3773680

SCHEMBL3773680

N=C(N)SCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.61
HTT P42858 4/20 0.46
ALDH1A1 P00352 2/20 0.46
ALDH2 P05091 2/20 0.46
ALDH3A1 P30838 2/20 0.46
MAPT P10636 1/20 0.45
NOS1 P29475 1/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SLC11A2 P49281 1/20 0.41
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 1/20 0.41
POLQ O75417 1/20 0.40

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
SCHEMBL22275640 0.87 IDO1 (0.65) IDO1HTTALDH1A1ALDH2ALDH3A1
Bromide SCHEMBL22262961 0.86 IDO1 (0.63) IDO1HTTALDH1A1ALDH2ALDH3A1
SCHEMBL15928217 0.83 IDO1 (0.51) IDO1HTTALDH1A1ALDH2ALDH3A1
SCHEMBL13007589 0.79 IDO1 (0.57) IDO1HTTALDH1A1ALDH2ALDH3A1
SCHEMBL272016 0.78 POLQ (0.49) POLQ
Bromide SCHEMBL17260892 0.78 IDO1 (0.56) IDO1HTTALDH1A1ALDH2ALDH3A1
SCHEMBL3773147 0.76 IDO1 (1.00) IDO1ALDH1A1ALDH2ALDH3A1NOS1
SCHEMBL3683730 0.75 IDO1 (0.52) IDO1HTTALDH1A1ALDH2ALDH3A1
SCHEMBL3681970 0.75 IDO1 (0.52) IDO1HTTALDH1A1ALDH2ALDH3A1
SCHEMBL1993639 0.74 CES2 (0.52) IDO1POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075177-A2 ANTIBIOTICS TARGETING MREB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-07-05 WO claimed
US-20060241185-A1 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-10-26 US claimed
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
WO-2007075177-A2 ANTIBIOTICS TARGETING MREB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-07-05 WO disclosed
WO-2007062222-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-05-31 WO disclosed
US-20060241185-A1 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-10-26 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 (3 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-20070254318-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS IDO1 4187/4885HTT 4772/4885ALDH1A1 2319/4885
US-20060241185-A1 Antibiotics targeting MreB SMC4, INCENP, DDB1 IDO1 2985/4885HTT 4629/4885ALDH1A1 3866/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS IDO1 4187/4885HTT 4772/4885ALDH1A1 2319/4885

“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.