SCHEMBL185735

SCHEMBL185735

c1ccc(-c2cnc(-c3ccccc3)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.61
HSD17B2 P37059 3/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
HPGDS O60760 2/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.55
KDR P35968 4/20 0.53
HPGD P15428 2/20 0.53
PTPN1 P18031 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC6 Q9UBN7 2/20 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
SCHEMBL10013448 0.98 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL186863 0.98 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
Bromide SCHEMBL11463626 0.98 HSD17B1 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL15090535 0.96 HSD17B1 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL15090492 0.93 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL23212803 0.90 HPGDS (0.58) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL9958606 0.89 HSD17B1 (0.51) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL28743533 0.89 NPC1 (0.57) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL31312542 0.89 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9NPC1
SCHEMBL20379368 0.89 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9NPC1

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 355 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP claimed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO claimed
US-4153703-A Method of controlling insects and acarids with certain aryl-substituted thiazoles UNIROYAL, INC. (US) 1979-05-08 US claimed
US-11968893-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2024-04-23 US disclosed
US-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 US disclosed
US-11345686-B2 Aromatic amine derivative, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2022-05-31 US disclosed
CN-109705012-B Preparation method of 2, 5-diaryl five-membered heterocyclic aromatic hydrocarbon 西北师范大学 2022-04-05 CN disclosed
EP-2315502-B1 Electroluminescent device UDC IRELAND LTD (IE) 2020-10-14 EP disclosed
US-10454038-B2 Delayed-fluorescence material and organic electroluminescence element using same KYULUX, INC. (JP) 2019-10-22 US disclosed
US-20190237675-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2019-08-01 US disclosed
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2019-06-13 US disclosed
EP-0107599-B1 PROCESS FOR THE PREPARATION OF SATURATED LINEAR ESTERS BY CARBONYLATION OF MONOOLEFINIC COMPOUNDS RHONE-POULENC CHIMIE DE BASE (FR) 1985-12-11 EP disclosed
EP-0107599-A1 Process for the preparation of saturated linear esters by carbonylation of monoolefinic compounds RHONE-POULENC CHIMIE DE BASE (FR) 1984-05-02 EP disclosed
US-4197306-A CONTROL OF INSECTS AND ACARIDS UNIROYAL, INC. (US) 1980-04-08 US disclosed
US-4164480-A POLYMER STABILIZERS EASTMAN KODAK COMPANY (US) 1979-08-14 US disclosed
US-4153703-A Method of controlling insects and acarids with certain aryl-substituted thiazoles UNIROYAL, INC. (US) 1979-05-08 US disclosed
US-4105631-A MULTICHROMOPHORIC ULTRAVIOLET STABILIZERS AND THEIR USE IN ORGANIC COMPOSITIONS EASTMAN KODAK COMPANY (US) 1978-08-08 US disclosed
US-4043973-A PIGMENTS, COLORANTS, FILLERS, REINFORCING AGENTS EASTMAN KODAK COMPANY (US) 1977-08-23 US disclosed
US-3939115-A OXADIAZOLES EASTMAN KODAK COMPANY (US) 1976-02-17 US disclosed
US-3936419-A Multichromophoric ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1976-02-03 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 (6 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-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT TYR, LEF1, EFNA1 HSD17B1 2485/4885HSD17B2 2415/4885CYP3A4 382/4885
US-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL HSD17B1 4485/4885HSD17B2 4363/4885CYP3A4 2357/4885
US-10454038-B2 Delayed-fluorescence material and organic electroluminescence element using same HNRNPF, RABL6, SRSF6 HSD17B1 4787/4885HSD17B2 4712/4885CYP3A4 3443/4885
US-11345686-B2 Aromatic amine derivative, and organic electroluminescent element TYR, LEF1, EFNA1 HSD17B1 2485/4885HSD17B2 2415/4885CYP3A4 382/4885
US-11968893-B2 Electroluminescent device PNPO, ODC1, AXL HSD17B1 4485/4885HSD17B2 4363/4885CYP3A4 2357/4885
US-20190237675-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE UTILIZING THE SAME TYR, NLRP1, NLRP3 HSD17B1 2729/4885HSD17B2 2120/4885CYP3A4 1335/4885

“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.