SCHEMBL230441

SCHEMBL230441

CCn1c(Br)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 1/20 0.62
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 7/20 0.56
HPGD P15428 6/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPT P10636 4/20 0.55
RCE1 Q9Y256 1/20 0.55
POLB P06746 3/20 0.54
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL16855623 0.85 POLB (0.65) HTTCYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL230641 0.80 ALDH1A1 (0.70) HTTCYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL981293 0.79 KDM4E (0.67) HTTCYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL1104819 0.78 TNF (0.66) HTTCYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL11811576 0.78 PKM (0.62) HTTCYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL8880387 0.78 TNF (0.65) HTTCYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL484087 0.78 CXCR4 (0.46) HTTCYP1A2CYP2D6LMNAMAPK1
SCHEMBL18046824 0.78 HPGD (0.64) KDM4EALDH1A1HPGDLMNAHSD17B10
SCHEMBL12397237 0.77 HTT (0.62) HTTCYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL1128817 0.77 HTT (0.62) HTTCYP1A2CYP2D6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339513-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2020-10-29 US disclosed
CN-111527070-A Heterocyclic compound and organic light-emitting device comprising the same LT素材株式会社 2020-08-11 CN disclosed
CN-110214141-A Benzodiazole compound as ENaC inhibitor 企业治疗学有限公司 2019-09-06 CN disclosed
US-9011734-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2015-04-21 US disclosed
CN-102149711-B Organic compounds NOVARTIS AG 2014-09-10 CN disclosed
EP-2082005-B9 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2013-05-22 EP disclosed
US-8431045-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2013-04-30 US disclosed
WO-2013056679-A1 NOVEL HETEROARYL-AMINO DERIVATIVES BEIJING HANMI PHARMACEUTICAL CO., LTD (CN) 2013-04-25 WO disclosed
US-20120292581-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS AND HIGH E LIGANDS FOR SAME PLEOTINT, LLC (US) 2012-11-22 US disclosed
EP-2082005-B1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2012-08-01 EP disclosed
US-7525717-B2 reversible; laminated; transition metal ion coordinated with a high epsilon ligand and a low epsilon ligand; polymer; separator; variable light transmission windows; polyvinyl butyral; nickel or cobalt iodide ligands; diol, triol or polyol ligands PLEOTINT, L.L.C. (US) 2009-04-28 US disclosed
US-20080105851-A1 Exhibiting a reversible change in absorbance of electromagnetic radiation as the temperature of the system is reversibly changed; comprising a transition metal ion and a ligand PLEOTINT, LLC (US) 2008-05-08 US disclosed
US-20080106781-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS CONTAINING EXCHANGE METALS PLEOTINT, LLC (US) 2008-05-08 US disclosed
US-20080100903-A1 MULTI-LAYER LIGAND EXCHANGE THERMOCHROMIC SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
US-20080100902-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed
JP-2006321749-A METHOD FOR PRODUCING ALKALI METAL SALT OF 2-CYANOMALONALDEHYDE UBE IND LTD 2006-11-30 JP disclosed
US-4960890-A FOR OPTICAL RECORDING MEDIA BASF AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4876347-A OPTICAL RECORDING MEDIA BASF AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
US-4751309-A OPTICAL RECORDING MEDIA BASF AKTIENGESELLSCHAFT (DE) 1988-06-14 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 (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-20200339513-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 HTT 2895/4885CYP1A2 6/4885CYP2D6 68/4885

“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.