SCHEMBL4334905

SCHEMBL4334905

N#Cc1c(Cl)ccc(Cl)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 3/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
GAA P10253 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CXCR1 P25024 1/20 0.36

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
SCHEMBL4422003 0.85 ALDH1A1 (0.46) ALDH1A1MAPTCYP3A4MEN1KMT2A
Dichlobenil SCHEMBL55606 0.81 ALDH1A1 (0.55) ALDH1A1MAPTCYP3A4MEN1KMT2A
Dichlobenil SCHEMBL1701380 0.81 ALDH1A1 (0.55) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL11789185 0.81 ALDH1A1 (0.37) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL10941730 0.81 TRPV4 (0.45) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL31038739 0.81 TRPV4 (0.45) ALDH1A1MAPTCYP3A4MEN1KMT2A
Dichlobenil SCHEMBL28232070 0.79 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4MEN1KMT2A
Dichlobenil SCHEMBL10737856 0.79 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL27961030 0.79 ALDH1A1 (0.40) ALDH1A1MAPTCYP3A4MEN1KMT2A
SCHEMBL3976816 0.77 L3MBTL1 (0.39) ALDH1A1MAPTCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110960686-A Phthalocyanine compound for tumor targeted fluorescence imaging and photodynamic therapy 中国医学科学院生物医学工程研究所 2020-04-07 CN disclosed
CN-109309163-B Organic electroluminescent device 清华大学 2019-12-17 CN disclosed
US-20120081482-A1 Phthalocyanines and Their Use in Ink-Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2012-04-05 US disclosed
WO-2010146381-A1 PHTHALOCYANINES AND THEIR USE IN INK-JET PRINTING FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-12-23 WO disclosed
US-7737270-B2 Method for producing a pigment CANON KABUSHIKI KAISHA (JP) 2010-06-15 US disclosed
US-7737270-B2 Method for producing a pigment CANON KABUSHIKI KAISHA (JP) 2010-06-15 US disclosed
US-7635744-B2 Trifluorovinyloxy monomers and polymers GENERAL ELECTRIC COMPANY (US) 2009-12-22 US disclosed
US-20080182984-A1 METHOD FOR PRODUCING A PIGMENT CANON KABUSHIKI KAISHA (JP) 2008-07-31 US disclosed
US-20080182984-A1 METHOD FOR PRODUCING A PIGMENT CANON KABUSHIKI KAISHA (JP) 2008-07-31 US disclosed
US-20070238856-A1 Trifluorovinyloxy monomers and polymers GENERAL ELECTRIC COMPANY 2007-10-11 US disclosed
EP-1233010-B1 Method for production of organic fluorine compound NIPPON CATALYTIC CHEM IND (JP) 2005-06-15 EP disclosed
EP-0899256-B1 Method for production of organic fluorine compound NIPPON CATALYTIC CHEM IND (JP) 2003-08-06 EP disclosed
EP-1233010-A1 Method for production of organic fluorine compound Nippon Shokubai Co., Ltd. (JP) 2002-08-21 EP disclosed
US-6392084-B1 FLUORINATION OF AN ORGANO(BROMINE OR CHLORIDE) COMPOUND IN BENZONITRILE SOLVENT NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-21 US disclosed
EP-0899256-A2 Method for production of organic fluorine compound NIPPON SHOKUBAI CO., LTD. (JP) 1999-03-03 EP disclosed
US-4684734-A Method for manufacture or organic fluorine compounds NIPPON SHOKUBAI KK CO., LTD. (JP) 1987-08-04 US disclosed
EP-0120575-A1 Organic fluorine compounds Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) 1984-10-03 EP disclosed
US-4239686-A Process for producing phthalimido derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1980-12-16 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-20120081482-A1 Phthalocyanines and Their Use in Ink-Jet Printing RB1, IDH1, CRY1 ALDH1A1 1627/4885MAPT 1903/4885CYP3A4 289/4885

“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.