SCHEMBL1805339

SCHEMBL1805339

COc1cc([NH])c(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ GAA P10253 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HSP90AA1 P07900 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ HSP90AB1 P08238 2/20 0.40
▸ PGK1 P00558 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL11514295 0.91 GAA (0.50) NPC1GAATAAR1HSP90AA1ALDH1A1
SCHEMBL11084654 0.86 GAA (0.50) NPC1GAATAAR1HSP90AA1ALDH1A1
SCHEMBL16609990 0.82 GAA (0.68) NPC1GAATAAR1HSP90AA1ALDH1A1
SCHEMBL6154652 0.81 GAA (0.56) NPC1GAATAAR1HSP90AA1ALDH1A1
SCHEMBL9793506 0.80 GAA (0.67) NPC1GAATAAR1ALDH1A1MAPT
SCHEMBL3757554 0.79 NPC1 (0.65) NPC1GAATAAR1HSP90AA1ALDH1A1
Chloroneb SCHEMBL22739 0.79 GAA (0.64) NPC1GAATAAR1HSP90AA1ALDH1A1
SCHEMBL1808576 0.74 KDM4E (0.50) NPC1GAAALDH1A1MAPTPKM
SCHEMBL11416083 0.74 ALDH1A1 (0.46) GAAALDH1A1MAPTMAPK1KDM4E
SCHEMBL30487990 0.74 GAA (0.65) NPC1GAATAAR1HSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310623-A THIO-PYRAZOLINE COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1982-01-12 — — US claimed
US-4264723-A CONTAINING PYRAZOLONE COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 — — US claimed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — US disclosed
EP-0854383-B1 Silver halide color photographic light-sensitive material KONISHIROKU PHOTO IND (JP) 2004-09-22 — — EP disclosed
US-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH 2004-09-09 — — US disclosed
EP-0763774-B1 Process for preparation of 2-equivalent 4-arylthio-5-pyrazolone magenta couplers TULALIP CONSULTORIA COM SOCIED (PT) 2003-04-02 — — EP disclosed
US-6156489-A Silver halide photosensitive material KONICA CORPORATION (JP) 2000-12-05 — — US disclosed
US-6063555-A PROVIDES SILVER HALIDE COLOR PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL WHICH IS EXCELLENT IN SCENE DEPICTION ABILITY KONICA CORPORATION (JP) 2000-05-16 — — US disclosed
US-6027868-A ORANGE COLORED BLACK AND WHITE PHOTOGRAPHIC NEGATIVE FILM KONICA CORPORATION (JP) 2000-02-22 — — US disclosed
EP-0651289-B1 Photographic element containing an azopyrazolone masking coupler exhibiting reduced fogging EASTMAN KODAK CO (US) 1999-08-11 — — EP disclosed
EP-0232101-B1 Light-sensitive silver halide color photographic material KONISHIROKU PHOTO IND (JP) 1994-03-23 — — EP disclosed
US-4992357-A Stability, adhesion resistant KONICA CORPORATION (JP) 1991-02-12 — — US disclosed
US-4914013-A MAGENTA COUPLER HAVING SPECIFIC BALLAST GROUP KONICA CORPORATION (JP) 1990-04-03 — — US disclosed
EP-0350022-A2 Silver halide color photographic light-sensitive material KONICA CORPORATION (JP) 1990-01-10 — — EP disclosed
EP-0232101-A2 Light-sensitive silver halide color photographic material KONICA CORPORATION (JP) 1987-08-12 — — EP disclosed
US-4587210-A COLORFASTNESS; DISCOLORATION INHIBITION; MAGENTA COUPLERS; WHITE BACKGROUND FUJI PHOTO FILM CO., LTD. (JP) 1986-05-06 — — US disclosed
US-4310623-A THIO-PYRAZOLINE COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1982-01-12 — — US disclosed
US-4293691-A Method for preparing magenta couplers having thioether groups FUJI PHOTO FILM CO., LTD. (JP) 1981-10-06 — — US disclosed
US-4264723-A CONTAINING PYRAZOLONE COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 — — 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 (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-20040176602-A1 3-Cyanoquinolines,3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 NPC1 653/4885GAA 3231/4885TAAR1 1532/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 NPC1 1531/4885GAA 2451/4885TAAR1 1933/4885

“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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