SCHEMBL14859670

SCHEMBL14859670

CC(C)(C)c1ccc(C(=O)N(S)C(=O)NCc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ LMNA P02545 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL14859718 0.87 L3MBTL1 (0.56) ALDH1A1KMT2AMEN1MAPK14LMNA
SCHEMBL12042429 0.82 ALDH1A1 (0.73) ALDH1A1HTTKMT2AMEN1MAPK14
SCHEMBL14860245 0.80 EPHX2 (0.54) ALDH1A1HTTKMT2AMEN1MAPK14
SCHEMBL14859930 0.80 NPC1 (0.51) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL14860135 0.79 HPGD (0.50) ALDH1A1HTTKMT2AMEN1LMNA
SCHEMBL14859860 0.78 EPHX2 (0.49) HTTKMT2AMEN1LMNARAB9A
SCHEMBL11597923 0.77 SMN1; SMN2 (0.61) ALDH1A1KMT2AMEN1MAPK14LMNA
SCHEMBL14859669 0.76 ALDH1A1 (0.63) ALDH1A1HTTKMT2AMEN1MAPK14
SCHEMBL14859532 0.76 NR1H4 (0.50) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL14860316 0.76 EPHX2 (0.59) KMT2AMEN1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 — — EP claimed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 — — US claimed
EP-2583962-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT Avixgen Inc. (KR) 2013-04-24 — — EP disclosed
US-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT AVIXGEN INC. (KR) 2013-04-18 — — 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-20130096138-A1 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT UGP2, TPMT, UPP1 ALDH1A1 1884/4885HTT 1357/4885KMT2A 2604/4885

“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.

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