SCHEMBL171086

SCHEMBL171086

Cc1ccc(SC#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
ALDH1A1 P00352 7/20 0.58
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CYP2A6 P11509 1/20 0.46
POLB P06746 1/20 0.42
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MYC P01106 1/20 0.41
WDR5 P61964 1/20 0.41
GFER P55789 1/20 0.39
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
DNMT1 P26358 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
ERBB2 P04626 1/20 0.35
RAB9A P51151 1/20 0.35

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
Thiocyanic Acid SCHEMBL6909048 0.93 MAPT (0.52) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL21027662 0.93 MAPT (0.52) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL20861898 0.93 MAPT (0.52) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL24296678 0.89 ALDH1A1 (0.48) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL4408306 0.86 ALDH1A1 (0.64) MAPTALDH1A1CA2CA5APOLB
SCHEMBL21632569 0.82 MAPT (0.43) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL19605694 0.79 MAPT (0.58) MAPTALDH1A1CA2CA5APOLB
SCHEMBL25056632 0.78 ALDH1A1 (0.40) MAPTALDH1A1CA2CA5APOLB
SCHEMBL25056669 0.76 ALDH1A1 (0.38) MAPTALDH1A1CA2CA5ACYP2A6
SCHEMBL1119058 0.76 ACHE (0.44) MAPTALDH1A1CA2CYP2A6ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190263962-A1 COPOLYMER HYBRID AEROGELS BASED ON ISOCYANATE - CYCLIC ETHER - CLAY NETWORKS Henkel IP & Holding GmbH (DE) 2019-08-29 US claimed
US-20230399942-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-12-14 US disclosed
WO-2023164002-A1 ELECTROLYTE ADDITIVE COMPOUNDS FOR HIGH VOLTAGE ENERGY STORAGE DEVICE, AND ASSOCIATED PROCESSES TESLA, INC. (US) 2023-08-31 WO disclosed
CN-116355117-A Terminal functionalized high cis-rare earth conjugated diene rubber and preparation method thereof 青岛科技大学 2023-06-30 CN disclosed
US-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-04-20 US disclosed
EP-3227272-B1 BIFUNCTIONAL DO2PA DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NAT RECH SCIENT (FR) 2021-07-07 EP disclosed
US-10770792-B2 Scanning antenna SHARP KABUSHIKI KAISHA (JP) 2020-09-08 US disclosed
US-20200239553-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2020-07-30 US disclosed
WO-2020133403-A1 SUBSTITUTED PYRIMIDINE ARYL ESTER DERIVATIVE, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-07-02 WO disclosed
US-20200147235-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2020-05-14 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
CN-1816531-A Process for the preparation of aryl alkyl acid derivatives and their use for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2006-08-09 CN disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
CN-1158315-C Process for producing ethylene/olefin interpolymers 伊斯曼化学公司 2004-07-21 CN disclosed
CN-1367800-A Process for producing ethylene/olefin interpolymers EASTMAN CHEM CO (US) 2002-09-04 CN disclosed
US-6395733-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS PFIZER INC 2002-05-28 US disclosed
EP-0816339-B1 Process for the preparation of (+-)2-Azabicyclo[2.2.1]hept-5-en-3-one DEGUSSA (DE) 2002-01-16 EP disclosed
EP-0816339-A2 Process for the preparation of (+-)2-Azabicyclo[2.2.1]hept-5-en-3-one DEGUSSA AKTIENGESELLSCHAFT (DE) 1998-01-07 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 (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-20200239553-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX MAPT 1983/4885ALDH1A1 2353/4885CA2 4188/4885
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC MAPT 4379/4885ALDH1A1 199/4885CA2 4415/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC MAPT 4379/4885ALDH1A1 199/4885CA2 4415/4885
US-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 MAPT 1155/4885ALDH1A1 448/4885CA2 1226/4885
US-20200147235-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 MAPT 1155/4885ALDH1A1 448/4885CA2 1226/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 MAPT 1370/4885ALDH1A1 2329/4885CA2 3083/4885

“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.