SCHEMBL6932732

SCHEMBL6932732

Cc1cccc(C(=O)C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
KCNH2 Q12809 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.47
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46
CTRB1 P17538 1/20 0.46
BCHE P06276 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL10933256 0.85 ATM (0.46) PARP1HDAC8HDAC6KMT2ATDP1
SCHEMBL27582425 0.82 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2MEN1
Toluene SCHEMBL28236911 0.82 CES2 (0.52) SMN1; SMN2MEN1KMT2AHPGDPOLB
Toluene SCHEMBL28236913 0.82 CES2 (0.52) SMN1; SMN2MEN1KMT2AHPGDPOLB
SCHEMBL14468269 0.80 PARP1 (0.52) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL3156993 0.80 PARP1 (0.57) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL15494373 0.79 PARP1 (0.50) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL10923240 0.79 TPMT (0.52) PARP1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL29034613 0.78 PARP1 (0.50) PARP1HDAC8HDAC6SMN1; SMN2MEN1
Cyanate SCHEMBL27852073 0.78 PARP1 (0.55) PARP1HDAC8HDAC6SMN1; SMN2MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4596885-A Process for the preparation of phenylglyoxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 US claimed
CN-112321544-B Chiral quaternary carbon cyanide and preparation method thereof 深圳湾实验室坪山生物医药研发转化中心 2023-05-26 CN disclosed
CN-113755477-A Nitrilase mutant and application thereof in preparation of acetophenone acid compound 上海晖胧生物医药有限公司 2021-12-07 CN disclosed
CN-112321544-A Chiral quaternary carbon cyanide and preparation method thereof 深圳湾实验室坪山生物医药研发转化中心 2021-02-05 CN disclosed
EP-1200393-B1 OXIME AMIDES AND HYDRAZONE AMIDES HAVING FUNGICIDAL ACTIVITY MONSANTO TECHNOLOGY LLC (US) 2003-12-10 EP disclosed
EP-1200393-A1 OXIME AMIDES AND HYDRAZONE AMIDES HAVING FUNGICIDAL ACTIVITY Monsanto Technology LLC (US) 2002-05-02 EP disclosed
US-20020045655-A1 Oxime amides and hydrazone amides having fungicidal activity MONSANTO TECHNOLOGY LLC. 2002-04-18 US disclosed
US-6359156-B1 CONTROLLING DISEASES IN CEREAL PLANTS MONSANTO TECHNOLOGY LLC 2002-03-19 US disclosed
US-6297271-B1 CONTROLLING TAKE-ALL DISEASE IN A PLANT MONSANTO TECHNOLOGY LLC 2001-10-02 US disclosed
WO-2001012590-A1 OXYME AMIDES AND HYDRAZONE AMIDES HAVING FUNGICIDAL ACTIVITY MONSANTO TECHNOLOGY LLC (US) 2001-02-22 WO disclosed
US-4966913-A FOR FALL ARMYWORM AND EUROPEAN CORN BORER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1990-10-30 US disclosed
US-4942247-A SULFIDE DERIVATIVES OF NITRILES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1990-07-17 US disclosed
US-4596885-A Process for the preparation of phenylglyoxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
US-4108875-A REACTING ACYL HALIDE WITH AN ALKALI METAL CYANIDE AND A COPPER(I) SALT IN THE PRESENCE OF A CARBOXYLIC ACID NITRILE WITH HEATING DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1978-08-22 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 (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-20020045655-A1 Oxime amides and hydrazone amides having fungicidal activity AADAC, HAAO, OGA PARP1 3656/4885HDAC8 55/4885HDAC6 587/4885

“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.