SCHEMBL6821030

SCHEMBL6821030

Cc1cc2ccccc2n1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
MAPK1 P28482 1/20 0.61
CCR2 P41597 3/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
TNF P01375 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NOTUM Q6P988 1/20 0.50
BRD4 O60885 1/20 0.50

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
SCHEMBL30049411 1.00 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL4057306 0.88 HDAC1 (0.58) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL6086266 0.88 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL20853225 0.88 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL6087324 0.86 HDAC1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL20853219 0.86 HDAC1 (0.57) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL2824971 0.86 HDAC6 (0.64) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL4701221 0.85 NPC1 (0.54) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL4056126 0.85 HDAC6 (0.74) HDAC1HDAC2HDAC8HDAC6HDAC9
SCHEMBL27204179 0.84 KDM4E (0.58) HDAC1HDAC2HDAC8HDAC6HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
CN-117186089-A Preparation method of tetrahydrocarboline derivative 浙江大学 2023-12-08 CN disclosed
US-9980952-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
US-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-11-02 US disclosed
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-11-17 US disclosed
US-9371331-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-06-21 US disclosed
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-09-17 US disclosed
US-9085583-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation—Pharmaceuticals, Inc. (US) 2015-07-21 US disclosed
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-01-08 US disclosed
US-4322352-A Indolyl phthalide compounds STERLING DRUG INC. (US) 1982-03-30 US disclosed
US-4307018-A CHROMOGENS FOR COPYING SYSTEMS STERLING DRUG INC. (US) 1981-12-22 US disclosed
US-4275121-A Carbonless duplicating and marking systems utilizing indolyl-substituted furanone color formers STERLING DRUG INC. (US) 1981-06-23 US disclosed
US-4257954-A INDOLYL-PHENYLSULFONYL-PHENYL METHANE STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4251446-A COLOR PRECURSORS STERLING DRUG INC. (US) 1981-02-17 US disclosed
US-4189171-A PRESSURE SENSITIVE, THERMAL AND HECTOGRAPHIC SYSTEMS STERLING DRUG INC. (US) 1980-02-19 US disclosed
US-4102893-A Process for the manufacture of color formers of indoles and anhydrides of aromatic or heteroaromatic, vicinal dicarboxylic acids, new color formers of these classes of substance and their use CIBA-GEIGY AG (CH) 1978-07-25 US disclosed
US-4075224-A 3,5-Bis (indolyl)-5-(indolyl)-2(5H)-furanones STERLING DRUG INC. (US) 1978-02-21 US disclosed
US-4045458-A FRIEDEL-CRAFTS CATALYSTS KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1977-08-30 US disclosed
US-3969346-A Naphtholactamcarbinols color formers, their manufacture and use in pressure-sensitive or thermoreactive recording material CIBA-GEIGY CORPORATION (US) 1976-07-13 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 (4 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-20170312262-A9 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 HDAC1 141/4885HDAC2 185/4885HDAC8 149/4885
US-20160333016-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 HDAC1 141/4885HDAC2 185/4885HDAC8 149/4885
US-20150011546-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 HDAC1 141/4885HDAC2 185/4885HDAC8 149/4885
US-20150259351-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 HDAC1 141/4885HDAC2 185/4885HDAC8 149/4885

“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.