SCHEMBL3786029

SCHEMBL3786029

O=[N+]([O-])c1cccc2[nH]cc(Br)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.46
BACE1 P56817 2/20 0.45
CYP2A6 P11509 1/20 0.44
NOS1 P29475 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
GPR35 Q9HC97 1/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL6583553 0.79 CLK1 (0.46) CLK1BACE1NOS1TDP1GPR35
SCHEMBL29236563 0.79 CLK1 (0.55) CLK1BACE1NOS1TDP1GPR35
SCHEMBL29811443 0.79 TDP1 (0.50) CLK1BACE1NOS1TDP1GPR35
SCHEMBL1943316 0.79 CLK1 (0.46) CLK1BACE1NOS1TDP1GPR35
SCHEMBL395905 0.79 TDP1 (0.50) CLK1BACE1NOS1TDP1GPR35
SCHEMBL28784022 0.79 CLK1 (0.46) CLK1BACE1NOS1TDP1GPR35
SCHEMBL3208591 0.77 CYP2A6 (0.57) CLK1BACE1CYP2A6NOS1TDP1
SCHEMBL29956050 0.77 CYP2A6 (0.57) CLK1BACE1CYP2A6NOS1TDP1
SCHEMBL2029263 0.76 TSHR (0.46) CLK1BACE1NOS1TDP1MEN1
SCHEMBL11611366 0.76 CLK1 (0.43) CLK1BACE1NOS1TDP1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN claimed
CN-114805664-A Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-29 CN claimed
CN-114292582-B Hyperbranched coating suitable for marine concrete, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-12 CN claimed
CN-114292582-A Hyperbranched coating suitable for marine concrete, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-04-08 CN claimed
CN-118184567-B Process for preparing 3-haloindole derivatives 常州工程职业技术学院 2025-02-18 CN disclosed
CN-118184567-A Process for preparing 3-haloindole derivatives 常州工程职业技术学院 2024-06-14 CN disclosed
CN-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN disclosed
CN-114805664-A Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-29 CN disclosed
CN-114292582-B Hyperbranched coating suitable for marine concrete, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-12 CN disclosed
CN-114292582-A Hyperbranched coating suitable for marine concrete, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-04-08 CN disclosed
US-8993762-B2 Total synthesis of thaxtomin A analogues and their intermediates MARRONE BIO INNOVATIONS, INC. (US) 2015-03-31 US disclosed
US-8993762-B2 Total synthesis of thaxtomin A analogues and their intermediates MARRONE BIO INNOVATIONS, INC. (US) 2015-03-31 US disclosed
WO-2014149171-A1 TOTAL SYNTHESIS OF THAXTOMIN A ANALOGUES AND THEIR INTERMEDIATES MARRONE BIO INNOVATIONS, INC. (US) 2014-09-25 WO disclosed
US-20140275541-A1 TOTAL SYNTHESIS OF THAXTOMIN A ANALOGUES AND THEIR INTERMEDIATES PRO FARM GROUP, INC. 2014-09-18 US disclosed
US-20140275541-A1 TOTAL SYNTHESIS OF THAXTOMIN A ANALOGUES AND THEIR INTERMEDIATES PRO FARM GROUP, INC. 2014-09-18 US disclosed
WO-2014003483-A1 FUSED PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON FMS KINASES HANMI PHARM. CO., LTD. (KR) 2014-01-03 WO disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
CN-101917999-A Modulation of protein trafficking FOLDRX PHARMACEUTICALS INC 2010-12-15 CN 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-20140275541-A1 TOTAL SYNTHESIS OF THAXTOMIN A ANALOGUES AND THEIR INTERMEDIATES HAAO, GART, TDO2 CLK1 4494/4885BACE1 3697/4885CYP2A6 134/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B CLK1 2573/4885BACE1 2640/4885CYP2A6 4429/4885

“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.