SCHEMBL9601620

SCHEMBL9601620

CC(=O)c1sc2ccccc2c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.61
MAPT P10636 11/20 0.61
KMT2A Q03164 11/20 0.61
MEN1 O00255 10/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
NPC1 O15118 7/20 0.61
KDM4E B2RXH2 4/20 0.61
MAOB P27338 4/20 0.61
MAPK1 P28482 4/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
LMNA P02545 3/20 0.61
TSHR P16473 2/20 0.61
TP53 P04637 1/20 0.61
BRCA1 P38398 1/20 0.61
HTT P42858 1/20 0.61
ALDH1A1 P00352 1/20 0.58
GAA P10253 3/20 0.56
ALOX15 P16050 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
SCHEMBL647033 0.82 MCL1 (0.65) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2610250 0.81 RXFP1 (0.61) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL649968 0.81 LIMK1 (0.68) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL11074064 0.81 LIMK1 (0.68) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14159248 0.81 MAOB (0.61) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL31347574 0.80 MAPK1 (0.71) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4651653 0.80 MAPK1 (0.71) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2503631 0.79 PTGS2 (0.56) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2610241 0.79 MCL1 (0.71) RAB9AMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL15766514 0.79 LIMK1 (0.71) RAB9AMAPTKMT2AMEN1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501806-B Chalcone-based fluorescent probe and preparation method and application thereof 深圳大学 2022-06-28 CN claimed
CN-113501806-B Chalcone-based fluorescent probe and preparation method and application thereof 深圳大学 2022-06-28 CN disclosed
CN-109790191-B Platinum complexes and methods of use thereof 香港大学 2022-04-08 CN disclosed
US-10672999-B2 Gold complexes for OLED applications THE UNIVERSITY OF HONG KONG (HK) 2020-06-02 US disclosed
WO-2018024172-A1 PLATINUM COMPLEXES AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2018-02-08 WO disclosed
US-20160301020-A1 GOLD COMPLEXES FOR OLED APPLICATIONS UNIV HONG KONG (HK) 2016-10-13 US disclosed
EP-0279263-B1 INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-04 EP disclosed
US-4873259-A Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-10-10 US disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 EP disclosed
US-4260776-A PYRAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 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 (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-20160301020-A1 GOLD COMPLEXES FOR OLED APPLICATIONS OSBPL3, OSBP, OCIAD1 RAB9A 1101/4885MAPT 334/4885KMT2A 3927/4885
US-10672999-B2 Gold complexes for OLED applications OSBPL3, OSBP, OCIAD1 RAB9A 1101/4885MAPT 334/4885KMT2A 3927/4885

“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.