SCHEMBL5793174

SCHEMBL5793174

Clc1nc(-c2ccc(Br)cc2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 5/20 0.64
▸ CYP1A1 P04798 3/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ ABCG2 Q9UNQ0 4/20 0.55
▸ METAP1 P53582 1/20 0.53
▸ TP53 P04637 1/20 0.50
▸ TSPO P30536 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TNKS O95271 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ATM Q13315 3/20 0.46
▸ XBP1 P17861 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ ABCB1 P08183 1/20 0.44

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
SCHEMBL16404333 0.91 METAP1 (0.61) CYP1B1CYP1A1CYP1A2ABCG2METAP1
SCHEMBL17275213 0.87 METAP1 (0.57) CYP1B1CYP1A1CYP1A2ABCG2METAP1
SCHEMBL25463096 0.87 MEN1 (0.57) CYP1B1CYP1A1CYP1A2ABCG2METAP1
SCHEMBL384799 0.87 METAP1 (0.61) ABCG2METAP1HTTMEN1KMT2A
SCHEMBL29593068 0.86 ATM (0.59) CYP1B1CYP1A1CYP1A2ABCG2METAP1
SCHEMBL4847197 0.86 ATM (0.59) CYP1B1CYP1A1CYP1A2ABCG2METAP1
SCHEMBL13312483 0.83 HTT (0.47) CYP1B1CYP1A1CYP1A2ABCG2METAP1
SCHEMBL4840414 0.83 ABCG2 (0.58) CYP1A2ABCG2METAP1TP53MEN1
SCHEMBL31009730 0.83 ABCG2 (0.58) CYP1A2ABCG2METAP1TP53MEN1
SCHEMBL8240685 0.83 ATM (0.65) CYP1B1CYP1A1CYP1A2ABCG2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound IDEMITSU KOSAN CO., LTD. (JP) 2018-07-24 — — US disclosed
US-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
US-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 — — US disclosed
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 — — WO disclosed
WO-2006034491-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 — — WO disclosed
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 — — 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 (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-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND LEF1, L1CAM, OLA1 CYP1B1 321/4885CYP1A1 230/4885CYP1A2 397/4885
US-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound LEF1, L1CAM, OLA1 CYP1B1 321/4885CYP1A1 230/4885CYP1A2 397/4885

“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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