SCHEMBL9886

SCHEMBL9886

CC(C)C(=O)Nc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.85
MAPT P10636 3/20 0.85
MEN1 O00255 2/20 0.85
KMT2A Q03164 2/20 0.85
RXFP1 Q9HBX9 1/20 0.85
RAB9A P51151 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
HPGD P15428 1/20 0.72
HTT P42858 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
GAA P10253 2/20 0.64
POLB P06746 4/20 0.61
LMNA P02545 2/20 0.60
NPC1 O15118 2/20 0.60
ATM Q13315 1/20 0.60
NAPRT Q6XQN6 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP2C9 P11712 2/20 0.57
CYP3A4 P08684 1/20 0.57
TP53 P04637 2/20 0.57

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
SCHEMBL19425986 1.00 ALDH1A1 (0.85) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL11659850 0.98 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL27725869 0.98 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL9145715 0.98 ALDH1A1 (0.81) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL11510700 0.96 ALDH1A1 (0.85) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL16237569 0.94 ALDH1A1 (0.76) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL10712217 0.92 MAPT (1.00) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL19500964 0.92 KMT2A (0.79) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL18880072 0.88 ALDH1A1 (0.73) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL7167547 0.88 TAAR1 (0.74) ALDH1A1MAPTMEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840820-B Phthalazinone compounds and uses thereof ST制药株式会社 2024-05-03 CN claimed
CN-104193907-B A kind of high temperature resistant powder nitrile rubber 安徽皖东化工有限公司 2018-03-30 CN claimed
EP-2674956-B1 HIGH THERMAL STABILITY PELLET COMPOSITIONS FOR THERMAL CUTOFF DEVICES AND METHODS FOR MAKING AND USE THEREOF THERM-O-DISC INCORPORATED (US) 2018-02-21 EP claimed
CN-104193898-B A kind of salt-free high temperature resistant powder nitrile rubber 安徽皖东化工有限公司 2017-09-22 CN claimed
US-9527042-B2 Separation membrane for water treatment and production method for same TORAY INDUSTRIES, INC. (JP) 2016-12-27 US claimed
CN-104193907-A High-temperature resistant powdered acrylonitrile-butadiene rubber SHENGDONG TECHNOLOGY CO LTD 2014-12-10 CN claimed
CN-104193898-A Salt-free high-temperature-resistant powder butadiene-acrylonitrile rubber SHENGDONG TECHNOLOGY CO LTD 2014-12-10 CN claimed
US-20130334471-A1 HIGH THERMAL STABILITY PELLET COMPOSITIONS FOR THERMAL CUTOFF DEVICES AND METHODS FOR MAKING AND USE THEREOF ARGENT INSTITUTIONAL TRUST COMPANY, AS SUCCESSOR AGENT 2013-12-19 US claimed
EP-2674956-A1 High thermal stability pellet compositions for thermal cutoff devices and methods for making and use thereof Therm-O-Disc Incorporated (US) 2013-12-18 EP claimed
US-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2010-05-27 US claimed
CN-1738820-A Novel diazabicyclic aryl derivatives NEUROSEARCH AS (DK) 2006-02-22 CN claimed
EP-1599476-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-11-30 EP claimed
WO-2005007094-A2 ASTHMA AND ALLERGIC INFLAMMATION MODULATORS TULARIK INC. (US) 2005-01-27 WO claimed
WO-2004076453-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES NEUROSEARCH A/S (DK) 2004-09-10 WO claimed
CN-1145720-A Hexbicide composition for use in paddy field SDS BIOLGOCIAL TECHNOLOGY CO L (JP) 1997-03-26 CN claimed
CN-1091133-A Cyclic amide compounds its preparation method and as weedicide ISHIHARA SANGYO KAISHA (JP) 1994-08-24 CN claimed
CN-1078852-A The weed killer herbicide of control weeds in paddy field HOECHST AG (DE) 1993-12-01 CN claimed
CN-1076585-A Synergistic herbicides and safeners HOECHST AG (DE) 1993-09-29 CN claimed
CN-1055357-A N-alkynes-2-chlorine-acetyl-phenyl derivative and the weedicide that contains this compound CENTRAL GLASS CO LTD (JP) 1991-10-16 CN claimed
US-4302599-A Process for nitrating anilides SCHERING CORPORATION (US) 1981-11-24 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-20100130483-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES CHRNA6, CHRNA10, CHRNA2 ALDH1A1 846/4885MAPT 1607/4885MEN1 4000/4885

“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.