SCHEMBL533700

SCHEMBL533700

Clc1cnc(-c2cc[c]cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 7/20 0.34
RAB9A P51151 7/20 0.34
ALDH1A1 P00352 5/20 0.34
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
PPARG P37231 2/20 0.34
NCOA2 Q15596 2/20 0.34
NCOA1 Q15788 2/20 0.34
NCOA3 Q9Y6Q9 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
KDR P35968 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2430081 0.79 NPC1 (0.50) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL18725066 0.78 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL11516196 0.78 HSD17B1 (0.49) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL12989049 0.76 HSD17B1 (0.49) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL5561901 0.76 SNCA (0.51) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL533159 0.76 HDAC4 (0.43) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL27955951 0.76 CYP11B1 (0.37) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL9958606 0.72 HSD17B1 (0.51) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL7229326 0.72 HDAC1 (0.31) NPC1RAB9AKDM4ECYP2C9HDAC1
SCHEMBL5743017 0.72 CDK2 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
CN-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 CN claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US claimed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US claimed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP claimed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP claimed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US claimed
CN-101970410-A Pyridylaminoacetic acid compounds UBE INDUSTRIES 2011-02-09 CN claimed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
CN-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 CN disclosed
CN-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 CN disclosed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 CN disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 EP disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
CN-101970410-A Pyridylaminoacetic acid compounds UBE INDUSTRIES 2011-02-09 CN disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 SMN1; SMN2 2679/4885MAPT 4683/4885NPC1 1352/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 SMN1; SMN2 3764/4885MAPT 4180/4885NPC1 3585/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 SMN1; SMN2 4030/4885MAPT 4449/4885NPC1 3814/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 SMN1; SMN2 4735/4885MAPT 3554/4885NPC1 1105/4885

“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.