SCHEMBL14859863

SCHEMBL14859863

Cc1ccc(C(=O)NC(=S)NCCc2cccc(Br)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.59
▸ MAPT P10636 4/20 0.59
▸ ALOX12 P18054 6/20 0.59
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ POLB P06746 3/20 0.58
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ KCNH2 Q12809 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ACHE P22303 1/20 0.50

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
SCHEMBL12068647 0.89 ALDH1A1 (0.63) ALDH1A1MAPTALOX12MEN1KMT2A
SCHEMBL19454201 0.87 NPC1 (0.69) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL12069271 0.80 ALDH1A1 (0.81) ALDH1A1MAPTALOX12MEN1KMT2A
SCHEMBL14859851 0.78 POLB (0.71) ALDH1A1ALOX12MEN1KMT2APOLB
SCHEMBL14859533 0.77 SCN5A (0.70) ALDH1A1MAPTALOX12MEN1KMT2A
SCHEMBL12069264 0.76 POLB (0.78) ALDH1A1ALOX12MEN1KMT2APOLB
SCHEMBL14859864 0.75 TAAR1 (0.45) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL15434970 0.75 ALDH1A1 (1.00) ALDH1A1MAPTALOX12MEN1KMT2A
SCHEMBL15679860 0.75 NPC1 (0.77) MAPTMEN1KMT2APOLBNPC1
SCHEMBL22777114 0.75 NPC1 (0.69) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2

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 ALDH1A1 1884/4885MAPT 1529/4885ALOX12 2922/4885

“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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