SCHEMBL14860407

SCHEMBL14860407

O=C(NC(=S)NCCc1ccccn1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 1.00
▸ PKM P14618 2/20 0.70
▸ ALDH1A1 P00352 5/20 0.66
▸ ALOX12 P18054 2/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ MAPT P10636 2/20 0.59
▸ KMT2A Q03164 1/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ MITF O75030 1/20 0.54

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
SCHEMBL14859844 0.90 RAB9A (0.81) RAB9APKMALDH1A1ALOX12SMN1; SMN2
SCHEMBL5457322 0.86 RAB9A (0.76) RAB9APKMALDH1A1ALOX12SMN1; SMN2
SCHEMBL483578 0.86 RAB9A (0.74) RAB9AALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL15328470 0.81 ALDH1A1 (0.78) RAB9AALDH1A1ALOX12SMN1; SMN2MAPT
SCHEMBL15434970 0.80 ALDH1A1 (1.00) RAB9AALDH1A1ALOX12SMN1; SMN2MAPT
SCHEMBL12049597 0.79 RAB9A (0.69) RAB9APKMALDH1A1ALOX12SMN1; SMN2
SCHEMBL11703253 0.78 RAB9A (0.64) RAB9APKMALDH1A1ALOX12SMN1; SMN2
SCHEMBL1394203 0.78 RAB9A (0.74) RAB9AALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL15328268 0.78 SMN1; SMN2 (0.77) RAB9AALDH1A1ALOX12SMN1; SMN2MAPT
SCHEMBL1694984 0.78 RAB9A (0.62) RAB9AALDH1A1SMN1; SMN2KMT2ANPC1

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 6 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
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

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 RAB9A 2456/4885PKM 3099/4885ALDH1A1 1884/4885

“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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