SCHEMBL4302102

SCHEMBL4302102

c1cc(-c2c(-c3ccncc3)c(-c3ccncc3)c(-c3ccncc3)c(-c3ccncc3)c2-c2ccncc2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
LMNA P02545 2/20 0.71
CYP2D6 P10635 2/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
NOTUM Q6P988 1/20 0.56
DDAH1 O94760 1/20 0.50
NOS1 P29475 1/20 0.50
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
IMPDH2 P12268 2/20 0.46
KIF11 P52732 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL13907344 0.93 MAPT (0.73) MAPTLMNACYP2D6KDM4ECYP1A2
SCHEMBL9728 0.84 MAPT (1.00) MAPTLMNACYP2D6KDM4ECYP1A2
SCHEMBL11910165 0.83 MAPT (0.50) MAPTLMNACYP2D6KDM4ECYP1A2
SCHEMBL24625411 0.81 MAPT (0.56) MAPTLMNACYP2D6KDM4ECYP1A2
SCHEMBL21652623 0.81 MAPT (0.56) MAPTLMNACYP2D6KDM4ECYP1A2
SCHEMBL21578111 0.81 MAPT (0.56) MAPTLMNACYP2D6KDM4ECYP1A2
SCHEMBL12902949 0.81 MAPT (0.56) MAPTLMNACYP2D6KDM4ECYP1A2
SCHEMBL29690567 0.81 MAPT (0.56) MAPTLMNACYP2D6KDM4ECYP1A2
Water SCHEMBL1648462 0.80 MAPT (0.92) MAPTLMNACYP2D6KDM4ECYP1A2
Hydrochloric Acid SCHEMBL3930145 0.80 MAPT (0.92) MAPTLMNACYP2D6KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7481866-B2 Gas storage materials and devices UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-01-27 US claimed
US-20090000474-A1 GAS STORAGE MATERIALS AND DEVICES NATIONAL SCIENCE FOUNDATION 2009-01-01 US claimed
JP-2006503104-A 2006-01-26 JP claimed
EP-1513612-A2 GAS STORAGE MATERIALS AND DEVICES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-03-16 EP claimed
WO-2004042270-A2 GAS STORAGE MATERIALS AND DEVICES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-05-21 WO claimed
US-9972802-B2 Organic electroluminescent element Konica Minolta, Inc. (JP) 2018-05-15 US disclosed
US-9972802-B2 Organic electroluminescent element Konica Minolta, Inc. (JP) 2018-05-15 US disclosed
US-20150076469-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-03-19 US disclosed
US-20150076469-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-03-19 US disclosed
US-8703300-B2 Organic electroluminescent element, display and illuminator KONICA MINOLTA HOLDINGS, INC. (JP) 2014-04-22 US disclosed
US-8703300-B2 Organic electroluminescent element, display and illuminator KONICA MINOLTA HOLDINGS, INC. (JP) 2014-04-22 US disclosed
US-20120193619-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND LIGHTING DEVICE USING SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2012-08-02 US disclosed
US-20090082574-A1 Metallacycles and methods of making the same ACADEMIA SINICA (TW) 2009-03-26 US disclosed
US-20090082574-A1 Metallacycles and methods of making the same ACADEMIA SINICA (TW) 2009-03-26 US disclosed
US-20090072715-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND ILLUMINATOR KONICA MINOLTA HOLDINGS, INC. (JP) 2009-03-19 US disclosed
US-20090072715-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND ILLUMINATOR KONICA MINOLTA HOLDINGS, INC. (JP) 2009-03-19 US disclosed
US-7481866-B2 Gas storage materials and devices UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-01-27 US disclosed
US-20090000474-A1 GAS STORAGE MATERIALS AND DEVICES NATIONAL SCIENCE FOUNDATION 2009-01-01 US disclosed
EP-1513612-A2 GAS STORAGE MATERIALS AND DEVICES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2005-03-16 EP disclosed
WO-2004042270-A2 GAS STORAGE MATERIALS AND DEVICES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-05-21 WO 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-20090082574-A1 Metallacycles and methods of making the same SOD1, PMS2, MEN1 MAPT 1667/4885LMNA 1648/4885CYP2D6 491/4885

“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.