SCHEMBL5983530

SCHEMBL5983530

CN(C)c1ccc(N=Nc2ccc(Br)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MAPK1 P28482 4/20 0.65
TSHR P16473 4/20 0.65
HSD17B10 Q99714 4/20 0.65
TDP1 Q9NUW8 3/20 0.65
NPC1 O15118 6/20 0.61
KMT2A Q03164 6/20 0.61
RAB9A P51151 5/20 0.61
MEN1 O00255 5/20 0.61
ALPL P05186 1/20 0.61
ALPI P09923 1/20 0.61
ALPG P10696 1/20 0.61
POLB P06746 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
CA12 O43570 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
NSD2 O96028 1/20 0.53
CASP3 P42574 1/20 0.53

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
SCHEMBL5983527 1.00 ALDH1A1 (0.65) ALDH1A1MAPK1TSHRHSD17B10TDP1
SCHEMBL1405467 0.88 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRHSD17B10TDP1
SCHEMBL3217840 0.88 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRHSD17B10TDP1
SCHEMBL1405466 0.88 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRHSD17B10TDP1
SCHEMBL3217836 0.88 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRHSD17B10TDP1
SCHEMBL3217829 0.88 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRHSD17B10TDP1
SCHEMBL59844 0.85 ALDH1A1 (0.69) ALDH1A1MAPK1TSHRHSD17B10TDP1
SCHEMBL2480761 0.83 ALDH1A1 (0.65) ALDH1A1MAPK1TSHRHSD17B10TDP1
Hydrochloric Acid SCHEMBL2860876 0.83 ALDH1A1 (0.65) ALDH1A1MAPK1TSHRHSD17B10TDP1
SCHEMBL17278970 0.81 ALDH1A1 (0.71) ALDH1A1MAPK1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO claimed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 US claimed
US-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 US disclosed
US-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 US disclosed
US-20150337203-A1 COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 US disclosed
US-20150337203-A1 COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 US disclosed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 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-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS ALDH1A1 3205/4885MAPK1 4785/4885TSHR 2997/4885
US-20150337203-A1 COMPOSITION CRY1, CRY2, C5 ALDH1A1 3469/4885MAPK1 2179/4885TSHR 3784/4885

“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.