SCHEMBL13619863

SCHEMBL13619863

CN1c2ccccc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])cc(CI)c1O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
LMNA P02545 6/20 0.49
GAA P10253 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
RECQL P46063 3/20 0.49
ALPG P10696 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 8/20 0.41
MAPK1 P28482 3/20 0.41
THRB P10828 5/20 0.38
PKM P14618 2/20 0.38
PLIN1 O60240 1/20 0.38
TSHR P16473 1/20 0.38
PLIN5 Q00G26 1/20 0.38

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
SCHEMBL8680656 0.92 MAPT (0.51) MAPTLMNAGAATDP1MEN1
SCHEMBL13619861 0.90 MAPT (0.49) MAPTLMNAGAATDP1MEN1
SCHEMBL8684889 0.90 MAPT (0.52) MAPTLMNAGAATDP1MEN1
SCHEMBL14439764 0.90 MAPT (0.49) MAPTLMNAGAATDP1MEN1
SCHEMBL14439769 0.88 MEN1 (0.39) MAPTLMNAGAATDP1MEN1
SCHEMBL8680371 0.87 MAPT (0.47) MAPTLMNAGAATDP1MEN1
SCHEMBL8680104 0.87 MAPT (0.52) MAPTLMNAGAATDP1MEN1
SCHEMBL8680180 0.87 MAPT (0.48) MAPTLMNAGAATDP1MEN1
SCHEMBL8680301 0.85 MAPT (0.53) MAPTLMNAGAATDP1MEN1
SCHEMBL5573271 0.85 SMN1; SMN2 (0.55) MAPTLMNAGAATDP1MEN1

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-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 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-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MAPT 1551/4885LMNA 1095/4885GAA 2877/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MAPT 1551/4885LMNA 1095/4885GAA 2877/4885

“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.