SCHEMBL17829224

SCHEMBL17829224

Clc1nc(-c2cccc(Br)c2)c2ccc3ccccc3c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ RORB Q92753 1/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ BIRC5 O15392 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GLA P06280 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL18132495 0.86 MAPT (0.44) MAPTL3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL17829202 0.84 CYP1A1 (0.50) MAPTL3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL29464956 0.84 ALDH1A1 (0.52) MAPTL3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL17367230 0.84 ALDH1A1 (0.52) MAPTL3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL30216149 0.83 CYP1A1 (0.52) MAPTCYP1A2CYP1A1CYP1B1IDO1
SCHEMBL15489875 0.83 CYP1A1 (0.52) MAPTCYP1A2CYP1A1CYP1B1IDO1
SCHEMBL17279669 0.83 CYP1A1 (0.50) MAPTL3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL18132499 0.82 MAPT (0.46) MAPTL3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL18842650 0.82 IDO1 (0.41) MAPTL3MBTL1CYP1A2CYP1A1CYP1B1
SCHEMBL18553598 0.81 MAPT (0.45) MAPTL3MBTL1CYP1A2CYP1A1CYP1B1

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 7 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-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 — — US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 — — 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
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 — — US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 — — 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 (3 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 MAPT 2940/4885L3MBTL1 96/4885CYP1A2 397/4885
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 MAPT 2279/4885L3MBTL1 271/4885CYP1A2 1870/4885
US-10032991-B2 Compound, organic electroluminescence element material, ink composition, organic electroluminescence element, electronic device, and method for producing compound LEF1, L1CAM, OLA1 MAPT 2940/4885L3MBTL1 96/4885CYP1A2 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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