SCHEMBL2948808

SCHEMBL2948808

O=[N+]([O-])c1ccc2[nH]cc(I)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.55
CDK5 Q00535 2/20 0.55
CDK5R1 Q15078 2/20 0.55
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
NQO2 P16083 1/20 0.49
PKM P14618 1/20 0.49
PKLR P30613 1/20 0.49
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
SLC6A4 P31645 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47

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
SCHEMBL2447653 0.86 PKM (0.56) CLK1CDK5CDK5R1CA12CA9
SCHEMBL19385392 0.79 CLK1 (0.52) CLK1CDK5CDK5R1CA12CA9
SCHEMBL15553635 0.79 TNFSF11 (0.53) CLK1CDK5CDK5R1CA12CA9
SCHEMBL3299198 0.79 HSD17B10 (0.52) CLK1CDK5CDK5R1CA12CA9
SCHEMBL981675 0.79 NQO2 (0.49) CLK1CDK5CDK5R1CA12CA9
SCHEMBL11731716 0.79 PKM (0.52) CA12CA9NQO2PKMPKLR
SCHEMBL3298386 0.79 LMNA (0.55) CA12CA9NQO2PKMPKLR
SCHEMBL29929188 0.79 LMNA (0.55) CA12CA9NQO2PKMPKLR
SCHEMBL27929617 0.78 NQO2 (0.61) CA12CA9NQO2PKMPKLR
SCHEMBL982452 0.78 ELANE (0.65) CLK1CDK5CDK5R1PKMPKLR

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184567-B Process for preparing 3-haloindole derivatives 常州工程职业技术学院 2025-02-18 CN disclosed
WO-2024140595-A1 TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 珂阑(上海)医药科技有限公司 2024-07-04 WO disclosed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 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
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
US-9988680-B2 Non-natural nucleosides as theranostic agents CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 US disclosed
US-9988680-B2 Non-natural nucleosides as theranostic agents CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 US disclosed
EP-2825546-B1 NON-NATURAL NUCLEOSIDES AS THERANOSTIC AGENTS UNIV CASE WESTERN RESERVE (US) 2017-07-12 EP disclosed
EP-2825546-B1 NON-NATURAL NUCLEOSIDES AS THERANOSTIC AGENTS UNIV CASE WESTERN RESERVE (US) 2017-07-12 EP disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 WO disclosed
EP-1842923-A1 Methanesulfonylaminoindole derivatives and labeled oligonucleotide probes containing them. Roche Diagnostics GmbH (DE) 2007-10-10 EP disclosed
US-20070196852-A1 Labeling reagent ROCHE DIAGNOSTICS GMBH (DE) 2007-08-23 US disclosed
US-20070196852-A1 Labeling reagent ROCHE DIAGNOSTICS GMBH (DE) 2007-08-23 US disclosed
US-20070196852-A1 Labeling reagent ROCHE DIAGNOSTICS GMBH (DE) 2007-08-23 US disclosed
US-20060216736-A1 Labeling reagent ROCHE DIAGNOSTICS OPERTIONS, INC. (US) 2006-09-28 US disclosed
EP-1700922-A2 Nitroindole derivatives and labeled oligonucleotide probes containing them Roche Diagnostics GmbH (DE) 2006-09-13 EP 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 CLK1 1181/4885CDK5 305/4885CDK5R1 291/4885
US-20060216736-A1 Labeling reagent DUT, NUDT1, NT5C2 CLK1 3043/4885CDK5 663/4885CDK5R1 808/4885
US-20070196852-A1 Labeling reagent INMT, RNGTT, DUT CLK1 3346/4885CDK5 495/4885CDK5R1 600/4885

“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.