SCHEMBL4685491

SCHEMBL4685491

N#C/N=C(/N)Nc1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.37
SIGMAR1 Q99720 1/20 0.35
GRK2 P25098 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 1/20 0.34
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL4685493 1.00 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2MAPTMEN1
SCHEMBL6614405 0.93 HDAC1 (0.38) ALDH1A1TSHRSMN1; SMN2MAPTMEN1
SCHEMBL6614403 0.93 HDAC1 (0.38) ALDH1A1TSHRSMN1; SMN2MAPTMEN1
SCHEMBL6406473 0.86 USP30 (0.39) ALDH1A1KMT2ALMNAP2RX7
SCHEMBL6406477 0.86 USP30 (0.39) ALDH1A1KMT2ALMNAP2RX7
SCHEMBL4682176 0.80 SIGMAR1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1HTT
SCHEMBL4682177 0.80 SIGMAR1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1HTT
SCHEMBL6406308 0.75 MAPT (0.36) MAPTKMT2APOLBP2RX7
SCHEMBL6405683 0.75 MAPT (0.36) MAPTKMT2APOLBP2RX7
SCHEMBL4678380 0.74 TSHR (0.52) ALDH1A1TSHRMAPTMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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 (2 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 ALDH1A1 1730/4885TSHR 3432/4885SMN1; SMN2 1809/4885
US-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 ALDH1A1 704/4885TSHR 3788/4885SMN1; SMN2 650/4885

“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.