SCHEMBL19169565

SCHEMBL19169565

Cc1nc(-n2c3ccccc3c3c4ccccc4ccc32)nc2c1oc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ TSHR P16473 6/20 0.40
▸ LMNA P02545 6/20 0.40
▸ HRH4 Q9H3N8 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ MAPT P10636 6/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ HPGD P15428 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL19161197 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL24839676 0.84 TSHR (0.39) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL19169686 0.84 LMNA (0.53) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL22223546 0.81 TSHR (0.36) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL22893874 0.81 NPC1 (0.32) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL22652260 0.80 TDP1 (0.37) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL19161764 0.80 HSD17B10 (0.34) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL19162436 0.80 HRH4 (0.38) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL19169770 0.80 HRH4 (0.38) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL19161995 0.79 HSD17B10 (0.35) ALDH1A1KMT2AKDM4EMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — 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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 ALDH1A1 331/4885KMT2A 1423/4885KDM4E 2743/4885

“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.

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