SCHEMBL12912464

SCHEMBL12912464

CCn1c(C)nc2cc(-c3ccc4ccc5cccc6ccc3c4c56)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.49
▸ RAD52 P43351 1/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ XBP1 P17861 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HTT P42858 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL12912453 0.93 KDM4E (0.47) KDM4ERAD52SMN1; SMN2RAB9ANPC1
SCHEMBL12912461 0.87 NLRP3 (0.60) KDM4ESMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL16433652 0.85 ALDH1A1 (0.47) KDM4ESMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL12912466 0.81 ALDH1A1 (0.44) KDM4ESMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL12912463 0.80 NLRP3 (0.57) KDM4ESMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL12912528 0.79 CA1 (0.43) KDM4ESMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL12716528 0.77 KDM4E (0.43) KDM4EKMT2AALDH1A1MAPTHSD17B10
SCHEMBL12912501 0.77 ALDH1A1 (0.43) KDM4ESMN1; SMN2NPC1ALDH1A1HSD17B10
SCHEMBL9976945 0.77 PDE10A (0.47) KDM4ESMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL13128467 0.76 KDM4E (0.46) KDM4ESMN1; SMN2RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — US disclosed
US-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-20 — — 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-20110012092-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NUDC, TYR, NUDT1 KDM4E 427/4885RAD52 2206/4885SMN1; SMN2 3886/4885

“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.

Send feedback