SCHEMBL821540

SCHEMBL821540

Cn1c(-c2ccccc2)cnc1S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
GAA P10253 4/20 0.50
LDLR P01130 1/20 0.50
PCSK9 Q8NBP7 1/20 0.50
HPGDS O60760 1/20 0.50
ATP1A1 P05023 7/20 0.49
ATP1B1 P05026 7/20 0.49
ATP1A3 P13637 7/20 0.49
ATP1B2 P14415 7/20 0.49
ATP1A2 P50993 7/20 0.49
ATP1B3 P54709 7/20 0.49
FXYD2 P54710 7/20 0.49
ATP1A4 Q13733 7/20 0.49
LMNA P02545 2/20 0.45
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK5 Q00535 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
SCHEMBL11482311 0.82 BACE1 (0.43) CYP1A2CYP3A4CYP2D6GAALDLR
SCHEMBL2107151 0.81 USP2 (0.64) CYP1A2CYP3A4CYP2D6GAAATP1A1
SCHEMBL12721184 0.78 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6GAALDLR
SCHEMBL822807 0.78 HPGDS (0.77) CYP1A2CYP3A4CYP2D6GAALDLR
SCHEMBL532551 0.76 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6GAALDLR
SCHEMBL3958498 0.76 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6GAALDLR
SCHEMBL27217078 0.76 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6GAALDLR
SCHEMBL11482313 0.76 KDM4E (0.45) CYP1A2LMNAALDH1A1TDP1TP53
SCHEMBL14680499 0.76 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2D6GAAHPGDS
SCHEMBL8656696 0.74 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6GAALDLR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196604-B2 Mitochondrial inhibitors for use in culturing pluripotent stem cells THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-05 US disclosed
US-9750723-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2017-09-05 US disclosed
US-9750723-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2017-09-05 US disclosed
US-20170130198-A1 MITOCHONDRIAL INHIBITORS FOR USE IN CULTURING PLURIPOTENT STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-05-11 US disclosed
US-20170130198-A1 MITOCHONDRIAL INHIBITORS FOR USE IN CULTURING PLURIPOTENT STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-05-11 US disclosed
US-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-01-26 US disclosed
US-20160256439-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2016-09-08 US disclosed
US-20160256439-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2016-09-08 US disclosed
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION UNIV OHIO (US) 2016-08-04 US disclosed
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION UNIV OHIO (US) 2016-08-04 US disclosed
US-5030644-A Thrombolytic, fibrinolytic therapy MERCK & CO., INC. (US) 1991-07-09 US disclosed
EP-0411705-A1 Imidazole compounds and their use as transglutaminase inhibitors MERCK & CO. INC. (US) 1991-02-06 EP disclosed
EP-0137223-B1 PHOTOGRAPHIC IMAGE-RECEIVING ELEMENT FOR SILVER SALT DIFFUSION TRANSFER PROCESS FUJI PHOTO FILM CO., LTD. (JP) 1988-05-11 EP disclosed
EP-0135786-B1 PHOTOGRAPHIC IMAGE RECEIVING ELEMENTS FOR SILVER SALT DIFFUSION TRANSFER PROCESSES FUJI PHOTO FILM CO., LTD. (JP) 1988-03-09 EP disclosed
US-4626495-A HYDROPHILIC COPOLYMER LAYER CONTAINING GUM ARABIC OR ARABIC ACID COATED BETWEEN ALKALI IMPERMEABLE AND IMAGE RECEIVING LAYERS FUJI PHOTO FILM CO., LTD. (JP) 1986-12-02 US disclosed
US-4585725-A STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1986-04-29 US disclosed
US-4569900-A SULFONATE OR SULFATE SURFACTANTS, POLYSACCUARIDES; SUPERIOR STRIPPING, NO MARKS OR SHEAR FUJI PHOTO FILM CO., LTD. (JP) 1986-02-11 US disclosed
US-4568634-A HIGH CONTRAST IMAGE FUJI PHOTO FILM CO., LTD. (JP) 1986-02-04 US disclosed
EP-0137223-A2 Photographic image-receiving element for silver salt diffusion transfer process FUJI PHOTO FILM CO., LTD. (JP) 1985-04-17 EP disclosed
EP-0135786-A2 Photographic image receiving elements for silver salt diffusion transfer processes FUJI PHOTO FILM CO., LTD. (JP) 1985-04-03 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 (4 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-10196604-B2 Mitochondrial inhibitors for use in culturing pluripotent stem cells TFAM, TUFM, ALDH2 CYP1A2 1260/4885CYP3A4 1130/4885CYP2D6 2422/4885
US-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 CYP1A2 3450/4885CYP3A4 3177/4885CYP2D6 3441/4885
US-20160256439-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE FABP1, CPT1A, LIPC CYP1A2 95/4885CYP3A4 77/4885CYP2D6 1018/4885
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION IRF3, TLR3, TLR4 CYP1A2 3921/4885CYP3A4 1685/4885CYP2D6 4244/4885

“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.