SCHEMBL4307692

SCHEMBL4307692

c1cc(C2(c3ccncc3)CCC2(c2ccncc2)c2ccncc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNA1 Q09470 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 8/20 0.36
CTSD P07339 1/20 0.35
DDAH1 O94760 1/20 0.35
NOS1 P29475 1/20 0.35
CHKA P35790 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NOTUM Q6P988 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL4312120 0.78 CHKA (0.32) LMNAMAPTCYP19A1CHKASIGMAR1
SCHEMBL28266689 0.72 LMNA (0.36) LMNAMAPTMEN1KMT2AHDAC8
SCHEMBL4306573 0.72 ESR1 (0.46) LMNAMAPTMEN1KMT2AHDAC8
SCHEMBL28282637 0.72 LMNA (0.36) LMNAMAPTMEN1KMT2AHDAC8
SCHEMBL27881636 0.72 LMNA (0.36) LMNAMAPTMEN1KMT2AHDAC8
SCHEMBL23215085 0.72 OPRL1 (0.42) LMNAMAPTALDH1A1CYP19A1HSD11B1
SCHEMBL2894741 0.72 LMNA (0.39) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL14943252 0.72 CYP19A1 (0.38) LMNAMAPTHDAC8CYP19A1CHKA
SCHEMBL659326 0.70 ESR1 (0.54) LMNAMAPTALDH1A1CYP19A1CHKA
SCHEMBL17469412 0.69 EPHX2 (0.41) LMNAMAPTCYP2D6TSHRCYP19A1

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 12 patents. 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-11850580-B2 Method for stereospecific cycloaddition reaction KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-12-26 US disclosed
US-20230041360-A1 METHOD FOR STEREOSPECIFIC CYCLOADDITION REACTION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-02-09 US disclosed
US-11471866-B2 4,4′-bipyridyl-ethylene MOFs of lead, zinc, or cadmium KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-10-18 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 (3 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-11471866-B2 4,4′-bipyridyl-ethylene MOFs of lead, zinc, or cadmium FBP1, BMP4, BMP2 LMNA 4718/4885MAPT 442/4885MEN1 2837/4885
US-20230041360-A1 METHOD FOR STEREOSPECIFIC CYCLOADDITION REACTION OXGR1, OGDH, OXER1 LMNA 4850/4885MAPT 1489/4885MEN1 3113/4885
US-11850580-B2 Method for stereospecific cycloaddition reaction OXGR1, OGDH, OXER1 LMNA 4850/4885MAPT 1489/4885MEN1 3113/4885

“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.