SCHEMBL2462487

SCHEMBL2462487

CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.73
MAPT P10636 9/20 0.73
SMN1; SMN2 Q16637 7/20 0.73
RAB9A P51151 5/20 0.73
NPC1 O15118 4/20 0.73
ALOX12 P18054 4/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
LMNA P02545 3/20 0.73
MAPK1 P28482 3/20 0.73
TDP1 Q9NUW8 3/20 0.73
HTT P42858 2/20 0.73
GAA P10253 1/20 0.73
CASP3 P42574 1/20 0.73
SENP8 Q96LD8 1/20 0.73
SENP7 Q9BQF6 1/20 0.73
SENP6 Q9GZR1 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
PTGES O14684 1/20 0.64
CCR6 P51684 2/20 0.59

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
SCHEMBL14707351 0.84 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13470395 0.81 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL2869422 0.81 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL4365757 0.81 ALDH1A1 (0.68) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13470288 0.80 MEN1 (0.64) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
Thiambutosine SCHEMBL1961184 0.79 PTGES (1.00) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13469735 0.79 MEN1 (0.63) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14096551 0.79 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL13469921 0.78 MEN1 (0.62) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14095987 0.78 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885MAPT 3443/4885SMN1; SMN2 370/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885MAPT 3443/4885SMN1; SMN2 370/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885MAPT 3443/4885SMN1; SMN2 370/4885

“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.