SCHEMBL14859802

SCHEMBL14859802

Cc1ccc(C(=O)NC(=O)NCc2ccc3ccccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
POLB P06746 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MAPK14 Q16539 1/20 0.52
NR1H4 Q96RI1 1/20 0.51

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
SCHEMBL14260700 0.82 HDAC1 (0.80) TP53HDAC8HDAC3HDAC1HDAC2
SCHEMBL7904983 0.78 RAB9A (0.62) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL3240913 0.78 NPC1 (0.69) TP53NPC1RAB9AHDAC8HDAC3
SCHEMBL15711328 0.78 HDAC1 (0.66) TP53NPC1RAB9AHDAC8HDAC3
SCHEMBL27920877 0.77 NR1H4 (0.70) MEN1KMT2AHDAC8HDAC3HDAC1
SCHEMBL12068708 0.77 TP53 (0.46) TP53NPC1RAB9AMEN1KMT2A
SCHEMBL1566414 0.76 NR1H4 (0.74) KMT2AHDAC8HDAC3HDAC1HDAC2
SCHEMBL14859816 0.76 ALDH1A1 (0.71) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL14859531 0.75 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL1695082 0.75 NR1H4 (0.58) HDAC8HDAC3HDAC1HDAC2HDAC4

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 8 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
CN-103003236-A Novel thiourea or urea derivative, method for preparing the same and pharmaceutical composition for preventing or treating AIDS comprising the same as an active ingredient AVIXGEN INC 2013-03-27 CN 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
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
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
CN-103003236-A Novel thiourea or urea derivative, method for preparing the same and pharmaceutical composition for preventing or treating AIDS comprising the same as an active ingredient AVIXGEN INC 2013-03-27 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 (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 TP53 2406/4885NPC1 1260/4885RAB9A 2456/4885

“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.