SCHEMBL2287293

SCHEMBL2287293

c1ccc(Nc2nccc(-c3cnc(NCC4CCCO4)s3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
TNK2 Q07912 4/20 0.46
MAPK1 P28482 6/20 0.45
ALOX15 P16050 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 3/20 0.44
RECQL P46063 3/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44

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
SCHEMBL2287336 0.89 MAPT (0.49) KCNH3SMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL2285408 0.89 LMNA (0.53) KCNH3SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL2283651 0.87 PAK4 (0.55) SMN1; SMN2ALDH1A1KDM4EHTTMAPK1
SCHEMBL2278895 0.86 CCNT1 (0.46) KCNH3SMN1; SMN2NPC1POLBRAB9A
SCHEMBL2284523 0.85 AURKA (0.50) MAPTLCKKDRCDK2CDK4
SCHEMBL2283329 0.84 KCNH3 (0.42) KCNH3KDM4ETNK2MAPK1ALOX15
SCHEMBL27741378 0.83 CDK4 (0.55) KCNH3SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL2281705 0.82 KCNH3 (0.54) KCNH3SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL2283774 0.82 IKBKB (0.41) KCNH3SMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL2284122 0.81 KCNH3 (0.50) KCNH3SMN1; SMN2ALDH1A1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 US disclosed
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 CN 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX KCNH3 1030/4885SMN1; SMN2 4306/4885ALDH1A1 707/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 KCNH3 1123/4885SMN1; SMN2 4384/4885ALDH1A1 662/4885

“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.