SCHEMBL19241981

SCHEMBL19241981

C(=N/c1ccc(-c2ccc(/N=C/c3ccncc3)cc2)cc1)\c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.42
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 3/20 0.41
CA7 P43166 1/20 0.41
CA12 O43570 2/20 0.41

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
SCHEMBL21652677 0.98 MAPT (0.46) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL21652615 0.94 ALDH1A1 (0.47) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL31291027 0.93 ALDH1A1 (0.48) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL19242052 0.93 ALDH1A1 (0.48) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL19241980 0.91 ALDH1A1 (0.44) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL21257080 0.91 CA2 (0.39) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL19241690 0.89 ALDH1A1 (0.43) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL27170376 0.89 ALDH1A1 (0.43) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL21257081 0.88 CA2 (0.40) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL19242050 0.84 ALDH1A1 (0.48) MAPTALDH1A1KDM4EMEN1TP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411140-B1 METHOD FOR SEPARATING ACETYLENE FROM A GAS MIXTURE UNIV LIMERICK (IE) 2021-08-18 EP disclosed
EP-3500582-B1 POROUS CHIRAL MATERIALS AND USES THEREOF UNIV NANKAI (CN) 2021-08-11 EP disclosed
US-11058985-B2 Methods for gas separation UNIVERSITY OF LIMERICK (IE) 2021-07-13 US disclosed
WO-2021048432-A2 IMPROVEMENTS RELATING TO GAS SEPARATION UNIVERSITY OF LIMERICK (IE) 2021-03-18 WO disclosed
EP-3791949-A1 IMPROVEMENTS RELATING TO GAS SEPARATION University of Limerick (IE) 2021-03-17 EP disclosed
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 US disclosed
US-20190054413-A1 METHODS FOR GAS SEPARATION THE UNIVERSITY OF LIMERICK (IE) 2019-02-21 US disclosed
WO-2018035660-A1 POROUS CHIRAL MATERIALS AND USES THEREOF NANKAI UNIVERSITY (CN) 2018-03-01 WO disclosed
WO-2017132816-A1 METHODS FOR GAS SEPARATION UNIVERSITY OF LIMERICK (IE) 2017-08-10 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-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 MAPT 3329/4885ALDH1A1 928/4885KDM4E 3822/4885

“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.