SCHEMBL5011789

SCHEMBL5011789

Nc1ccc(C(c2ccc(N)cc2)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.35
TAAR1 Q96RJ0 2/20 0.35
NR4A2 P43354 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP2A6 P11509 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
CYP2D6 P10635 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 2/20 0.33
PLA2G7 Q13093 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL5623441 0.79 TSHR (0.43) TSHRCYP1A2CYP2A6SLC6A2SLC6A4
SCHEMBL4078435 0.78 CYP1A2 (0.50) CYP3A4TSHRALDH1A1TAAR1NR4A2
SCHEMBL31409210 0.77 TSHR (0.44) CYP3A4TSHRALDH1A1MAPTMEN1
SCHEMBL5009566 0.77 TSHR (0.44) CYP3A4TSHRALDH1A1MAPTMEN1
SCHEMBL6556826 0.74 SLC2A1 (0.47) CYP3A4TSHRALDH1A1MAPTMEN1
SCHEMBL223522 0.72 MEN1 (0.57) CYP3A4TSHRALDH1A1TAAR1MAPT
SCHEMBL22050356 0.72 MEN1 (0.57) CYP3A4TSHRALDH1A1TAAR1MAPT
SCHEMBL13069412 0.72 CYP1A2 (0.40) CYP3A4TSHRALDH1A1NR4A2CYP1A2
SCHEMBL5010075 0.72 CYP19A1 (0.56) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL31409201 0.71 ALDH1A1 (0.50) ALDH1A1TAAR1MAPTLMNAALOX12

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-20210230109-A1 COMPOUND, INK, RESIST COMPOSITION FOR COLOR FILTER, SHEET FOR HEAT-SENSITIVE TRANSFER RECORDING, AND TONER CANON KABUSHIKI KAISHA (JP) 2021-07-29 US disclosed
US-20200283633-A1 COLORING COMPOUND AND THERMAL TRANSFER RECORDING SHEET CANON KABUSHIKI KAISHA (JP) 2020-09-10 US disclosed
WO-2020085298-A1 COMPOUND, INK, RESIST COMPOSITION FOR COLOR FILTERS, SHEET FOR THERMAL TRANSFER RECORDING, AND TONER キヤノン株式会社 2020-04-30 WO disclosed
US-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
EP-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 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-20210230109-A1 COMPOUND, INK, RESIST COMPOSITION FOR COLOR FILTER, SHEET FOR HEAT-SENSITIVE TRANSFER RECORDING, AND TONER C1R, HEATR1, C1S CYP3A4 1127/4885TSHR 54/4885ALDH1A1 2567/4885

“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.