SCHEMBL17481995

SCHEMBL17481995

O=C(NCc1ccccc1)c1ccsc1-n1cccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
HPGD P15428 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
METAP2 P50579 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
APEX1 P27695 1/20 0.48
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
MAPK10 P53779 1/20 0.46
BRD4 O60885 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
NSD2 O96028 1/20 0.45

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
SCHEMBL26401375 0.77 HPGD (0.57) KMT2AHPGDALDH1A1MAPK1GAA
SCHEMBL20976469 0.77 KMT2A (0.57) KMT2AHPGDALDH1A1TSHRGAA
SCHEMBL14356409 0.77 KMT2A (0.66) KMT2AHPGDALDH1A1GAALMNA
SCHEMBL9672332 0.75 POLB (0.58) KMT2AHPGDALDH1A1MAPK1GAA
SCHEMBL5104057 0.74 KMT2A (0.54) KMT2AHPGDALDH1A1GAALMNA
SCHEMBL1696919 0.74 KMT2A (0.54) KMT2AHPGDALDH1A1GAALMNA
SCHEMBL11901003 0.73 KMT2A (0.89) KMT2AHPGDTSHRGAALMNA
SCHEMBL31680569 0.73 KMT2A (0.89) KMT2AHPGDTSHRGAALMNA
SCHEMBL2925459 0.71 NPC1 (0.71) KMT2AHPGDALDH1A1TSHRLMNA
SCHEMBL5113787 0.69 NPC1 (0.55) KMT2AHPGDGAALMNAL3MBTL1

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-9862684-B2 Modulation of K2P channels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US disclosed
US-20160031814-A1 MODULATION OF K2P CHANNELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 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 (1 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-20160031814-A1 MODULATION OF K2P CHANNELS KCNJ2, KCNK2, KCNN3 KMT2A 449/4885HPGD 2099/4885ALDH1A1 3826/4885

“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.