SCHEMBL12069268

SCHEMBL12069268

O=C(NC(=S)NCCc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.81
▸ ALOX12 P18054 6/20 0.81
▸ KMT2A Q03164 3/20 0.75
▸ LMNA P02545 2/20 0.75
▸ MEN1 O00255 2/20 0.75
▸ RECQL P46063 1/20 0.75
▸ MAPT P10636 2/20 0.65
▸ RAB9A P51151 4/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ KCNH2 Q12809 1/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ MITF O75030 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ POLB P06746 1/20 0.56

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
SCHEMBL15434970 0.90 ALDH1A1 (1.00) ALDH1A1ALOX12KMT2AMEN1MAPT
SCHEMBL21357791 0.87 ALDH1A1 (0.83) ALDH1A1ALOX12KMT2ALMNAMEN1
SCHEMBL23068177 0.86 ALDH1A1 (0.81) ALDH1A1ALOX12KMT2ALMNAMEN1
SCHEMBL14859923 0.86 ALDH1A1 (0.81) ALDH1A1ALOX12KMT2ALMNAMEN1
SCHEMBL12069271 0.86 ALDH1A1 (0.81) ALDH1A1ALOX12KMT2AMEN1MAPT
SCHEMBL2332195 0.85 RAB9A (0.88) ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7782979 0.84 MAPT (0.70) ALDH1A1ALOX12KMT2ALMNAMEN1
SCHEMBL15328470 0.82 ALDH1A1 (0.78) ALDH1A1ALOX12KMT2ALMNAMEN1
SCHEMBL23068164 0.81 ALDH1A1 (0.83) ALDH1A1ALOX12KMT2AMEN1MAPT
SCHEMBL7702108 0.79 RAB9A (1.00) KMT2AMEN1MAPTRAB9ANPC1

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 11 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
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 — — US disclosed
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITA DEGLE STUDI DI SIENA (IT) 2021-03-11 — — US disclosed
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
WO-2011159137-A2 NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT (주)에빅스젠 (KR) 2011-12-22 — — 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-11814366-B2 Antiviral compounds and use thereof MAVS, EIF2AK2, SARS1 ALDH1A1 2154/4885ALOX12 2331/4885KMT2A 4261/4885
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 1884/4885ALOX12 2922/4885KMT2A 2604/4885
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, EIF2AK2, SARS1 ALDH1A1 2154/4885ALOX12 2331/4885KMT2A 4261/4885

“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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