SCHEMBL2466325

SCHEMBL2466325

c1ccc2[nH]c3ncnc-3nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.61
▸ NPC1 O15118 13/20 0.61
▸ ALDH1A1 P00352 11/20 0.61
▸ SMN1; SMN2 Q16637 10/20 0.61
▸ KDM4E B2RXH2 10/20 0.61
▸ PKM P14618 5/20 0.61
▸ HSD17B10 Q99714 5/20 0.61
▸ TP53 P04637 4/20 0.61
▸ NPSR1 Q6W5P4 4/20 0.61
▸ ABCB11 O95342 1/20 0.61
▸ GAA P10253 2/20 0.53
▸ HPGD P15428 7/20 0.51
▸ METAP2 P50579 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ METAP1 P53582 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 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
Cyanide SCHEMBL10887131 0.96 RAB9A (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
Carbazole SCHEMBL11246462 0.92 KDM4E (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7864583 0.84 KDM4E (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL950945 0.79 NPC1 (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30174323 0.79 NPC1 (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL172216 0.77 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30561047 0.77 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30634854 0.77 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11153711 0.75 NPC1 (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
Water SCHEMBL9817804 0.74 NPC1 (0.95) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150144198-A1 SOLAR CELL MATERIALS CUBICPV INC. 2015-05-28 — — US claimed
US-20110224147-A1 METHODS AND COMPOSITIONS Relevare Aust. Pyt. Ltd. (AU) 2011-09-15 — — US claimed
US-20100316678-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD. (AU) 2010-12-16 — — US claimed
EP-2175886-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBio Pty Ltd (AU) 2010-04-21 — — EP claimed
WO-2010012043-A1 METHODS AND COMPOSITIONS CNSBIO PTY LTD (AU) 2010-02-04 — — WO claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO claimed
WO-2009000038-A1 COMBINATION METHODS AND COMPOSITIONS FOR TREATMENT OF NEUROPATHIC PAIN CNSBIO PTY LTD (AU) 2008-12-31 — — WO claimed
EP-1195641-B1 Film/Screen system and image-forming system for use in direct X-ray applications AGFA GEVAERT (BE) 2004-12-29 — — EP claimed
US-6528227-B2 Radiation-sensitive black-and-white silver halide photographic material in contact with screen sheets designed to emit electrons when exposed to X-rays with an energy greater than or equal to 10 kVp; radiology AGFA-GEVAERT (BE) 2003-03-04 — — US claimed
US-6465166-B1 HIGH SPEED SILVER HALIDE PHOTOGRAPHIC EMULSION WHEREIN THE GRAIN AGGLOMERATION IS PREVENTED AND PHOTOGRAPHIC MATERIAL REDUCED IN RESIDUAL DYE COLOR AFTER PROCESSING FUJI PHOTO FILM. CO., LTD. (JP) 2002-10-15 — — US claimed
US-4207103-A EMULSION CONTAINS ONE ELECTRON ACCEPTING COMPOUND AS DESENSITIZER EASTMAN KODAK COMPANY (US) 1980-06-10 — — US claimed
EP-0005652-A2 Electrophoretic migration imaging process and dispersion EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1979-11-28 — — EP claimed
US-4166740-A CYANINE DYES EASTMAN KODAK COMPANY (US) 1979-09-04 — — US claimed
US-4111699-A O-NITRO-O-AZAARYLIDENE PHOTOBLEACHABLE DYES AND PHOTOGRAPHIC ELEMENTS UTILIZING THEM EASTMAN KODAK COMPANY (US) 1978-09-05 — — US claimed
US-4035190-A 2-ISOXAZOLIN-3-HETEROCYCLIC-SUBSTITUTED MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-07-12 — — US claimed
US-4028113-A Photographic supports and elements utilizing photobleachable O-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1977-06-07 — — US claimed
US-3988154-A Photographic supports and elements utilizing photobleachable omicron-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1976-10-26 — — US claimed
US-3988156-A Photographic supports and elements utilizing photobleachable o-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1976-10-26 — — US claimed
US-3984248-A Photographic polymeric film supports containing photobleachable o-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1976-10-05 — — US claimed
US-3935312-A Combating fungi with imidazo-[4,5-b]quinoxalines BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 — — US claimed

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-20110224147-A1 METHODS AND COMPOSITIONS OPRK1, OPRL1, OPRM1 RAB9A 3055/4885NPC1 1887/4885ALDH1A1 3437/4885

“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.

Send feedback