SCHEMBL422041

SCHEMBL422041

Cc1ccc2cc(C)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CYP2A6 P11509 5/20 0.48
CYP1A2 P05177 5/20 0.48
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
APP P05067 4/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL14985718 0.84 CYP2A6 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17795981 0.83 CYP2A6 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL144441 0.81 CYP2A6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6248129 0.80 CYP2A6 (0.63) CYP2A6CYP1A2MAPTTDP1ALDH1A1
SCHEMBL12134542 0.79 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8189102 0.79 SMN1; SMN2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12796847 0.78 BCL2L1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12796846 0.78 BCL2L1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL144486 0.77 ALDH1A1 (0.38) CYP2A6MAPTRAB9AESR1ESR2
SCHEMBL5241572 0.77 ESR2 (0.58) CYP1A2ESR1ESR2GAADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
US-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-11877459-B2 Light detecting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-16 US disclosed
US-11877459-B2 Light detecting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-16 US disclosed
WO-2023238764-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT 住友化学株式会社 2023-12-14 WO disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS WILEY MICHAEL R 2007-03-29 US disclosed
US-7169931-B2 Cell differentiation, cell proliferation SHIONOGI & CO., LTD. (JP) 2007-01-30 US disclosed
US-7169931-B2 Cell differentiation, cell proliferation SHIONOGI & CO., LTD. (JP) 2007-01-30 US disclosed
US-20060091364-A1 Photocontrolled photochromic electroluminescent and electroconductive polymers for photonics SAMSUNG DISPLAY CO., LTD. (KR) 2006-05-04 US disclosed
WO-2006041831-A2 CYCLIC Β-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-20 WO disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
WO-2004108892-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 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 (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-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS F2, F11, F12 HDAC3 4106/4885HDAC4 4577/4885HDAC1 3657/4885

“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.