SCHEMBL1699269

SCHEMBL1699269

Cc1cc2ccccc2c(Br)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ PKM P14618 1/20 0.46
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2A6 P11509 3/20 0.45
▸ PTGS1 P23219 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ TRPM4 Q8TD43 1/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PTPN22 Q9Y2R2 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL4172887 0.81 LMNA (0.54) LMNAHTTPKMCYP1A2CYP2A6
SCHEMBL9424681 0.81 CYP1A2 (0.50) POLBCYP1A2CYP2A6TRPM4TDP1
SCHEMBL6600451 0.79 POLB (0.52) HTTPOLBCYP1A2TRPM4GRIN2D
SCHEMBL3332527 0.79 POLB (0.57) POLBCYP1A2TRPM4GRIN2DGRIN2A
SCHEMBL10883903 0.79 CYP1A2 (0.48) POLBCYP1A2CYP2A6TRPM4TDP1
SCHEMBL30576383 0.79 CYP1A2 (0.48) POLBCYP1A2CYP2A6TRPM4TDP1
SCHEMBL3262903 0.79 LMNA (0.52) LMNAHTTPKMCYP1A2CYP2A6
SCHEMBL30071634 0.79 LMNA (0.52) LMNAHTTPOLBPKMCYP1A2
SCHEMBL3953630 0.79 LMNA (0.52) LMNAHTTPOLBPKMCYP1A2
SCHEMBL31277250 0.79 LMNA (0.52) LMNAHTTPKMCYP1A2CYP2A6

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
CN-114835630-A Method for synthesizing spiro [ cyclohexenone-1, 2' -indoline ] skeleton 武汉工程大学 2022-08-02 — — CN disclosed
CN-109843856-A KRAS G12C inhibitor 米拉蒂治疗股份有限公司 2019-06-04 — — CN disclosed
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 — — EP disclosed
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 — — EP disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 — — US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 — — US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 — — US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 — — US disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 — — EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 — — WO disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 — — 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 (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-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 LMNA 710/4885HTT 1843/4885POLB 1157/4885

“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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