SCHEMBL16746567

SCHEMBL16746567

N#Cc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PPARG P37231 1/20 0.39
CYP2A6 P11509 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
MMP3 P08254 1/20 0.39
ENPP2 Q13822 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP19A1 P11511 5/20 0.38
GSK3B P49841 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
RORC P51449 1/20 0.37
CA1 P00915 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 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
SCHEMBL9512238 0.89 PPARG (0.42) PPARGALDH1A1KDM4EGAAMAPT
SCHEMBL9512243 0.89 PPARG (0.42) PPARGALDH1A1KDM4EGAAMAPT
SCHEMBL7466596 0.89 MAPT (0.45) CA2CA12CA3CA6CA9
SCHEMBL22244209 0.88 CYP3A4 (0.38) CA2CA12CA3CA6CA9
SCHEMBL6243535 0.82 MAPT (0.44) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL5058946 0.81 KMT2A (0.54) CYP2A6ALDH1A1CYP19A1KDM4EMEN1
SCHEMBL5776081 0.80 L3MBTL1 (0.43) CA2CA12CA3CA6CA9
Hydrochloric Acid SCHEMBL8038931 0.79 MAPT (0.43) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL3100616 0.79 MAPT (0.39) CA2CA12CA9CA14ALDH1A1
SCHEMBL151232 0.79 CYP2A6 (0.48) CA2CA12CA3CA6CA9

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
US-9371460-B2 Photopolymerization method, ink set, ink composition, and water-soluble biimidazole FUJIFILM CORPORATION (JP) 2016-06-21 US disclosed
US-9371460-B2 Photopolymerization method, ink set, ink composition, and water-soluble biimidazole FUJIFILM CORPORATION (JP) 2016-06-21 US disclosed
EP-2899241-A1 PHOTOPOLYMERIZATION METHOD, INK SET, IMAGE FORMATION METHOD, INK COMPOSITION, AND PHOTOPOLYMERIZATION INITIATOR AND WATER-SOLUBLE BIIMIDAZOLE USED THEREIN FUJI-FILM Corporation (JP) 2015-07-29 EP disclosed
US-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE FUJIFILM CORPORATION (JP) 2015-05-28 US disclosed
US-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE FUJIFILM CORPORATION (JP) 2015-05-28 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-20150148442-A1 PHOTOPOLYMERIZATION METHOD, INK SET, INK COMPOSITION, AND WATER-SOLUBLE BIIMIDAZOLE JAK1, SETDB1, CCNI CA2 4094/4885CA12 4238/4885CA3 3825/4885

“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.