SCHEMBL5824712

SCHEMBL5824712

O=C(Cc1cccc2ccccc12)N=C=S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 5/20 0.48
CYP1A2 P05177 2/20 0.46
SIRT5 Q9NXA8 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
CTNNB1 P35222 1/20 0.45
LMNA P02545 3/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACP3 P15309 1/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGER4 P35408 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
SCHEMBL15241368 0.78 AKR1B1 (0.55)
SCHEMBL3573836 0.77 ALDH1A1 (0.42) TDP1MEN1KMT2ALMNAKDM4E
SCHEMBL5824475 0.77 CTBP2 (0.50) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5824570 0.77 CTBP2 (0.50) MEN1KMT2APKMMAPTALDH1A1
Isothiocyanate SCHEMBL27938294 0.75 TDP1 (0.80) TDP1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL5432554 0.75 TDP1 (0.59) TDP1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL7565966 0.75 TDP1 (0.74) TDP1L3MBTL1CYP1A2SIRT5MEN1
SCHEMBL30774302 0.75 TDP1 (0.74) TDP1L3MBTL1CYP1A2SIRT5MEN1
SCHEMBL3620817 0.74 GABRA1 (0.35)
SCHEMBL590845 0.74 TDP1 (0.67) TDP1L3MBTL1CYP1A2SIRT5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646348-A Naphthalene dicarboamide naphthalene acyl thiourea compound and application thereof 青岛科技大学 2016-06-08 CN claimed
CN-106232102-A Topical composition 荷兰联合利华有限公司 2016-12-14 CN disclosed
CN-105646348-A Naphthalene dicarboamide naphthalene acyl thiourea compound and application thereof 青岛科技大学 2016-06-08 CN disclosed
CN-103845345-A Hepatitis treatment medicament INST PHARM & TOXICOLOGY AMMS 2014-06-11 CN disclosed
CN-102961688-B Traditional Chinese medicine decoction capable of reducing alpha fetoprotein and preventing and treating liver cancer JIAO KEDE 2014-03-26 CN disclosed
CN-103508981-A New piperazine derivative and medical applications BEIJING MEIBEITA PHARMACEUTICAL RES CO LTD 2014-01-15 CN disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TDP1 1586/4885L3MBTL1 1545/4885CYP1A2 1807/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA TDP1 2348/4885L3MBTL1 1895/4885CYP1A2 2346/4885

“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.