SCHEMBL533052

SCHEMBL533052

Clc1ccc(-c2cc[c]nn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.38
METAP2 P50579 1/20 0.38
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
CASP1 P29466 1/20 0.35
CYP1A2 P05177 1/20 0.34
RPA1 P27694 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
CYP2A6 P11509 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL2752707 0.82 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2CYP1A2MAOBTSHR
SCHEMBL3664828 0.79 KMT2A (0.42) NOTUMMETAP2RAB9ANPC1SMN1; SMN2
SCHEMBL534494 0.79 RAB9A (0.46) NOTUMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL533161 0.78 RAB9A (0.41) METAP2RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL352435 0.75 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL2752394 0.75 ALDH1A1 (0.41) NOTUMRAB9ANPC1MAPTCYP1A2
SCHEMBL2753532 0.73 HSP90AA1 (0.44) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL8778323 0.71
SCHEMBL11112616 0.71 RIPK1 (0.35) RAB9ANPC1SMN1; SMN2MAPTCYP1A2
SCHEMBL2751278 0.71 NPC1 (0.40) NOTUMRAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101296925-A Novel benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 CN claimed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US 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
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP disclosed
CN-101296925-A Novel benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 CN disclosed
CN-101296731-A Novel benzopyran derivatives as potassium channel openers JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 CN 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 (3 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NOTUM 3548/4885METAP2 458/4885RAB9A 2549/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NOTUM 3429/4885METAP2 477/4885RAB9A 2112/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 NOTUM 2988/4885METAP2 1892/4885RAB9A 1700/4885

“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.