SCHEMBL7101931

SCHEMBL7101931

NC(=Nc1cc(CS)ccc1Cl)N1CCCc2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.39
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.34
NR3C1 P04150 3/20 0.33
TP53 P04637 1/20 0.33
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
RORC P51449 4/20 0.33
RORA P35398 1/20 0.33
RORB Q92753 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL7101845 0.92 HDAC8 (0.35) KMT2ANOTUMMAPTNPC1MAPK1
SCHEMBL7104470 0.84 SIGMAR1 (0.45) KMT2ANOTUMMAPTLMNA
SCHEMBL7099398 0.81 KMT2A (0.40) KMT2ANOTUMMAPTNPC1MAPK1
Hydrochloric Acid SCHEMBL6775753 0.80 KMT2A (0.41) KMT2ANOTUMMAPTNPC1MAPK1
SCHEMBL7613843 0.77 KMT2A (0.39) KMT2ANOTUMMAPTNPC1MAPK1
SCHEMBL7103248 0.75 NOTUM (0.43) KMT2ANOTUMMAPTNPC1MAPK1
SCHEMBL6846382 0.74 KMT2A (0.36) KMT2ANOTUMMAPK1LMNAHTR2A
SCHEMBL7106084 0.73 NOTUM (0.41) KMT2ANOTUMMAPTNPC1MAPK1
SCHEMBL8303584 0.70 ALDH1A1 (0.38) KMT2AMAPK1RAB9ANPSR1L3MBTL1
SCHEMBL6770333 0.69 GPBAR1 (0.49) KMT2AMAPTNPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed

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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN KMT2A 3542/4885NOTUM 439/4885MAPT 122/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN KMT2A 3542/4885NOTUM 439/4885MAPT 122/4885

“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.