SCHEMBL498680

SCHEMBL498680

CC#CNC(=O)c1ccc(-c2ccc(-c3cccs3)s2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.64
▸ ALDH1A1 P00352 6/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ LMNA P02545 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ HPGD P15428 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP7 P55210 1/20 0.52

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
SCHEMBL13857534 0.81 HDAC1 (0.73) HDAC1ALDH1A1KDM4ELMNAGAA
SCHEMBL5903723 0.79 HDAC1 (1.00) HDAC1ALDH1A1KDM4ELMNAGAA
SCHEMBL8328245 0.76 HDAC1 (0.76) HDAC1ALDH1A1KDM4ELMNAGAA
SCHEMBL8572753 0.76 ALDH1A1 (0.96) HDAC1ALDH1A1KDM4ELMNAGAA
SCHEMBL20181377 0.76 ALDH1A1 (0.96) HDAC1ALDH1A1KDM4ELMNAGAA
SCHEMBL4280023 0.74 ALDH1A1 (0.69) HDAC1ALDH1A1KDM4ELMNAGAA
SCHEMBL4319368 0.74 ALDH1A1 (1.00) HDAC1ALDH1A1KDM4ELMNAGAA
SCHEMBL498577 0.74 ALDH1A1 (0.69) HDAC1ALDH1A1KDM4ELMNAGAA
SCHEMBL7870469 0.73 ALDH1A1 (0.89) HDAC1ALDH1A1KDM4ELMNAGAA
SCHEMBL13044173 0.73 ALDH1A1 (0.68) HDAC1ALDH1A1KDM4ELMNAGAA

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379109-B1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE BAUSCH HEALTH COMPANIES INC (CA) 2020-10-07 — — EP disclosed
US-9226917-B2 Photodynamic therapy for conditions of the eye VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2016-01-05 — — US disclosed
US-8968715-B2 Drug delivery systems for photodynamic therapy THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-03-03 — — US disclosed
US-8852629-B2 Drug delivery system for hydrophobic drugs VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (CA) 2014-10-07 — — US disclosed
EP-1357912-B9 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QUADRA LOGIC TECH INC (CA) 2012-06-13 — — EP disclosed
EP-1357912-B1 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QUADRA LOGIC TECH INC (CA) 2012-04-25 — — EP disclosed
US-20120041356-A1 PHOTODYNAMIC THERAPY FOR CONDITIONS OF THE EYE QLT INC. (CA) 2012-02-16 — — US disclosed
US-8106038-B2 Method for reducing or preventing PDT related inflammation QLT INC. (CA) 2012-01-31 — — US disclosed
EP-2379109-A1 COMBINATION OF PHOTODYNAMIC THERAPY AND ANTI-VEGF AGENTS IN THE TREATMENT OF UNWANTED CHOROIDAL NEOVASCULATURE Qlt Inc. (CA) 2011-10-26 — — EP disclosed
US-8034803-B2 Treating an occult choroidal neovascular lesion QLT INC. (CA) 2011-10-11 — — US disclosed
US-20020156062-A1 Drug delivery system for hydrophobic drugs BAUSCH HEALTH COMPANIES INC. (CA) 2002-10-24 — — US disclosed
US-20020155089-A1 Drug delivery systems for photodynamic therapy UNIVERSITY OF BRITISH COLUMBIA, THE (CA) 2002-10-24 — — US disclosed
WO-2002064163-A2 REDUCTION OR PREVENTION OF PDT RELATED INFLAMMATION QLT INC. (CA) 2002-08-22 — — WO disclosed
WO-2002062386-A2 PHOTODYNAMIC THERAPY OF OCCULT CHOROIDAL NEOVASCULARIZATION LINKED TO AGE-RELATED MACULAR DEGENERATION QLT INC. (CA) 2002-08-15 — — WO disclosed
WO-2002062384-A2 REDUCED FLUENCE RATE PDT QLT INC. (CA) 2002-08-15 — — WO disclosed
WO-2002062385-A2 METHOD TO PREVENT VISION LOSS QLT, INC. (CA) 2002-08-15 — — WO disclosed
EP-1229937-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT Inc. (CA) 2002-08-14 — — EP disclosed
US-20020061330-A1 Supports for photosensitizer formulations BRITISH COLUMBIA, THE UNIVERSITY OF (CA) 2002-05-23 — — US disclosed
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors QLT INC. (CA) 2002-02-21 — — US disclosed
WO-2001035996-A2 USE OF PDT TO INHIBIT INTIMAL HYPERPLASIA QLT INC. (CA) 2001-05-25 — — 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 (4 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-20020156062-A1 Drug delivery system for hydrophobic drugs LIPA, MLEC, ABCG2 HDAC1 2736/4885ALDH1A1 2604/4885KDM4E 3305/4885
US-20020155089-A1 Drug delivery systems for photodynamic therapy PIN1, PPOX, DHFR HDAC1 4042/4885ALDH1A1 701/4885KDM4E 1989/4885
US-20020061330-A1 Supports for photosensitizer formulations PPOX, PPIF, SDHA HDAC1 2845/4885ALDH1A1 371/4885KDM4E 3097/4885
US-20020022032-A1 Immuno-adjuvant PDT treatment of metastatic tumors CD74, ANXA11, ANXA1 HDAC1 2880/4885ALDH1A1 794/4885KDM4E 4361/4885

“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.

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