SCHEMBL7744331

SCHEMBL7744331

CN(C)c1ccc(N)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 4/20 0.43
HSD17B10 Q99714 1/20 0.43
APAF1 O14727 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
APP P05067 2/20 0.40

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
SCHEMBL30123613 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL23926483 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL3885663 0.82 ALDH1A1 (0.46) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL11149905 0.78 S100B (0.66) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL2313495 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL31361979 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL7692723 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL21586818 0.77 HDAC1 (0.42) ALDH1A1MAPK1TDP1CA12CA1
SCHEMBL8282330 0.77 CA12 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL8281091 0.77 SMN1; SMN2 (0.44) ALDH1A1MAPK1TP53CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160243059-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING DEGENERATIVE BRAIN DISEASE COMPRISING MULTI-TARGETING COMPOUNDS UNIST ACADEMY-INDUSTRY RESEARCH CORPORATION (KR) 2016-08-25 US claimed
US-20160243059-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING DEGENERATIVE BRAIN DISEASE COMPRISING MULTI-TARGETING COMPOUNDS UNIST ACADEMY-INDUSTRY RESEARCH CORPORATION (KR) 2016-08-25 US disclosed
WO-2008124550-A1 PHENOTHIAZIN DERIVATIVES FOR ANTIVIRAL TREATMENTS PROSETTA CORPORATION (US) 2008-10-16 WO disclosed
US-6316605-B1 FOR USE IN RECORDING MATERIALS FOR THERMAL TRANSFER RECORDING, INK JET RECORDING FUJI PHOTO FILM CO., LTD. (JP) 2001-11-13 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-20160243059-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING DEGENERATIVE BRAIN DISEASE COMPRISING MULTI-TARGETING COMPOUNDS APP, PSEN1, BACE1 ALDH1A1 1006/4885ALOX15 65/4885CYP3A4 4370/4885

“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.