SCHEMBL1828133

SCHEMBL1828133

CC(=O)c1cccc2cnccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAPKAPK2 P49137 1/20 0.55
LMNA P02545 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.49
GALK1 P51570 1/20 0.49
ATM Q13315 1/20 0.49
HASPIN Q8TF76 1/20 0.47
HTT P42858 3/20 0.46
SLC22A12 Q96S37 1/20 0.45
P2RX7 Q99572 1/20 0.43
TRPV1 Q8NER1 3/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A1 P04798 1/20 0.42

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
SCHEMBL30098456 1.00 KDM4E (0.55) KDM4EMAPKAPK2LMNACYP3A4CYP2D6
SCHEMBL30937994 0.86 HASPIN (0.47) KDM4EMAPKAPK2LMNACYP3A4CYP2D6
SCHEMBL14893839 0.86 HASPIN (0.47) KDM4EMAPKAPK2LMNACYP3A4CYP2D6
SCHEMBL27598089 0.85 KDM4E (0.58) KDM4EMAPKAPK2LMNACYP3A4CYP2D6
SCHEMBL14571338 0.85 DGAT2 (0.46) KDM4EMAPKAPK2MAPTGALK1ATM
SCHEMBL117921 0.84 NR4A1 (0.60) KDM4EMAPKAPK2LMNACYP3A4CYP2D6
SCHEMBL29702097 0.84 NR4A1 (0.60) KDM4EMAPKAPK2LMNACYP3A4CYP2D6
SCHEMBL4040801 0.82 KDM4E (0.55) KDM4EMAPKAPK2LMNACYP3A4CYP2D6
Water SCHEMBL5659378 0.82 NR4A1 (0.58) KDM4EMAPKAPK2LMNACYP3A4CYP2D6
SCHEMBL17040876 0.82 KDM4E (0.55) KDM4EMAPKAPK2LMNACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20220165962-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME LT MATERIALS CO., LTD. (KR) 2022-05-26 US disclosed
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
WO-2020081923-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-8481532-B2 PDE-10 inhibitors ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
US-20110178083-A1 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. 2011-07-21 US disclosed
EP-2318410-A2 NEW SMALL-MOLECULE PDE-10 INHIBITORS Envivo Pharmaceuticals, Inc. (US) 2011-05-11 EP disclosed
WO-2010006130-A2 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. (US) 2010-01-14 WO disclosed
WO-2010006130-A2 PDE-10 INHIBITORS ENVIVO PHARMACEUTICALS, INC. (US) 2010-01-14 WO disclosed
US-4396619-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-4382932-A Isoquinolinium substituted cephalosporins ELI LILLY AND COMPANY (US) 1983-05-10 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 (6 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 KDM4E 3009/4885MAPKAPK2 1239/4885LMNA 1261/4885
US-20220165962-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CRY1, CYP1A1, CYP1B1 KDM4E 2452/4885MAPKAPK2 3002/4885LMNA 4003/4885
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 KDM4E 2961/4885MAPKAPK2 421/4885LMNA 4183/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP KDM4E 3212/4885MAPKAPK2 449/4885LMNA 1527/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 KDM4E 2961/4885MAPKAPK2 421/4885LMNA 4183/4885
US-20110178083-A1 PDE-10 INHIBITORS PDE12, PDE10A, PDE2A KDM4E 1349/4885MAPKAPK2 1408/4885LMNA 3547/4885

“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.