SCHEMBL533483

SCHEMBL533483

Clc1ccnc(-c2cc[c]cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
MAPT P10636 4/20 0.40
MAP4K4 O95819 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PRNP P04156 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2132620 0.79 MAPT (0.59) MEN1KMT2AMAPTMAP4K4SMN1; SMN2
SCHEMBL30061028 0.79 L3MBTL1 (0.49) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL2650448 0.79 L3MBTL1 (0.49) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL1673203 0.79 LMNA (0.50) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL28483238 0.76 LMNA (0.47) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL27945271 0.76 KMT2A (0.56) MEN1KMT2AMAPTMAP4K4SMN1; SMN2
SCHEMBL19244913 0.76 MEN1 (0.66) MEN1KMT2AMAPTMAP4K4SMN1; SMN2
SCHEMBL533393 0.76 MEN1 (0.40) MEN1KMT2AMAPTL3MBTL1TRPV3
SCHEMBL534270 0.76 MEN1 (0.40) MEN1KMT2AMAPTMAP4K4NPC1
Methyl Alcohol SCHEMBL10573082 0.74 LMNA (0.50) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102448940-A Pharmaceutical composition for treating or preventing glaucoma UBE INDUSTRIES 2012-05-09 CN 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

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 MEN1 4120/4885KMT2A 723/4885MAPT 4180/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 MEN1 4385/4885KMT2A 820/4885MAPT 4449/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 MEN1 1413/4885KMT2A 3385/4885MAPT 3554/4885

“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.