SCHEMBL4934602

SCHEMBL4934602

CCNc1cc2c(c3ccccc13)Nc1ccc(N(CC)CC)cc1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
HSD17B10 Q99714 2/20 0.35
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RPS6KA2 Q15349 1/20 0.32
HCRTR1 O43613 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA3 P07451 3/20 0.31
CA4 P22748 3/20 0.31
CA6 P23280 3/20 0.31
CA5A P35218 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31

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
Hydrochloric Acid SCHEMBL498441 0.99 MAPT (0.35) MAPTHSD17B10IDO1ALDH1A1TP53
SCHEMBL11298623 0.89 CDK2 (0.37) MAPTHSD17B10IDO1ALDH1A1TP53
SCHEMBL1347821 0.82 S100B (0.38) MAPTHSD17B10ALDH1A1TP53HTT
SCHEMBL7209657 0.82 MAPT (0.35) MAPTHSD17B10ALDH1A1TP53HTT
SCHEMBL17847418 0.79 ALDH1A1 (0.33) MAPTHSD17B10ALDH1A1TP53HTT
SCHEMBL20497202 0.79 CYP1A2 (0.37) MAPTHSD17B10ALDH1A1TP53HTT
SCHEMBL5050234 0.77 IDO1 (0.33) MAPTHSD17B10IDO1ALDH1A1TP53
SCHEMBL29822211 0.77 IDO1 (0.33) MAPTHSD17B10IDO1ALDH1A1TP53
SCHEMBL29565964 0.77 IDO1 (0.33) MAPTHSD17B10IDO1ALDH1A1TP53
SCHEMBL29912733 0.77 IDO1 (0.33) MAPTHSD17B10IDO1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7346387-B1 Methods for improved selectivity in photo-activation and detection of molecular diagnostic agents PROVECTUS DEVICETECH, INC. (US) 2008-03-18 US disclosed
US-20080015189-A1 Antimicrobial photoinactivation using chalcogen analogs of benzo(A)phenoxazinium dyes THE GENERAL HOSPITAL CORPORATION (US) 2008-01-17 US disclosed
EP-1467760-A2 SYSTEMS AND METHODS FOR PHOTODYNAMIC THERAPY Light Sciences Corporation (US) 2004-10-20 EP disclosed
US-20030167033-A1 Systems and methods for photodynamic therapy LIGHT SCIENCES CORPORATION 2003-09-04 US disclosed
WO-2003061696-A2 SYSTEMS AND METHODS FOR PHOTODYNAMIC THERAPY LIGHT SCIENCES CORPORATION (US) 2003-07-31 WO disclosed
EP-0977592-A4 METHOD FOR IMPROVED SELECTIVITY IN PHOTO-ACTIVATION OF MOLECULAR AGENTS PHOTOGEN INC (US) 2001-01-10 EP disclosed
EP-1032321-A4 METHOD FOR IMPROVED SELECTIVITY IN PHOTO-ACTIVATION AND DETECTION OF MOLECULAR DIAGNOSTIC AGENTS PHOTOGEN INC (US) 2000-09-06 EP disclosed
EP-1032321-A1 METHOD FOR IMPROVED SELECTIVITY IN PHOTO-ACTIVATION AND DETECTION OF MOLECULAR DIAGNOSTIC AGENTS Photogen, Inc. (US) 2000-09-06 EP disclosed
US-6042603-A Method for improved selectivity in photo-activation of molecular agents PHOTOGEN, INC. (US) 2000-03-28 US disclosed
EP-0977592-A1 METHOD FOR IMPROVED SELECTIVITY IN PHOTO-ACTIVATION OF MOLECULAR AGENTS Photogen, Inc. (US) 2000-02-09 EP disclosed
US-5998597-A THE TREATMENT OF A PARTICULAR VOLUME OF PLANT OR ANIMAL TISSUE COMPRISING THE STEPS OF TREATING THE PLANT OR ANIMAL TISSUE WITH AT LEAST ONE PHOTO-ACTIVE MOLECULAR AGENT. PHOTOGEN, INC. (US) 1999-12-07 US disclosed
WO-1998018398-A1 METHOD FOR IMPROVED SELECTIVITY IN PHOTO-ACTIVATION AND DETECTION OF MOLECULAR DIAGNOSTIC AGENTS PHOTOGEN, INC. (US) 1998-05-07 WO disclosed
WO-1998018399-A1 METHOD FOR IMPROVED SELECTIVITY IN PHOTO-ACTIVATION OF MOLECULAR AGENTS PHOTOGEN, INC. (US) 1998-05-07 WO 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-20080015189-A1 Antimicrobial photoinactivation using chalcogen analogs of benzo(A)phenoxazinium dyes BLVRB, CUTA, TYR MAPT 3310/4885HSD17B10 646/4885IDO1 995/4885

“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.