SCHEMBL715512

SCHEMBL715512

[c]1ccccc1-n1c(-c2ccccc2)nnc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
AVPR1A P37288 2/20 0.44
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
AKT1 P31749 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.38
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37

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
SCHEMBL712091 0.77 ALDH1A1 (0.55) KMT2AAVPR1AALDH1A1TSHRKDM4E
SCHEMBL715625 0.76 ESR1 (0.54) KMT2AALDH1A1TSHRKDM4EHSD17B10
SCHEMBL715856 0.76 MAPT (0.42) KMT2AALDH1A1KDM4EHPGDMAPK1
SCHEMBL715513 0.71 AVPR1A (0.55) KMT2AAVPR1AALDH1A1TSHRKDM4E
SCHEMBL713975 0.70 PTGS1 (0.41) KMT2AALDH1A1TSHRKDM4EHSD17B10
SCHEMBL39449 0.70 AVPR1A (0.70) KMT2AAVPR1AALDH1A1TSHRKDM4E
SCHEMBL18327898 0.70 AVPR1A (0.70) KMT2AAVPR1AALDH1A1TSHRKDM4E
SCHEMBL712092 0.69 AVPR1A (0.58) KMT2AAVPR1AALDH1A1TSHRKDM4E
SCHEMBL13052909 0.69 ALDH1A1 (0.58) KMT2AAVPR1AALDH1A1TSHRKDM4E
SCHEMBL28341418 0.68 TSPO (0.35) ALDH1A1

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-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 KMT2A 2499/4885AVPR1A 3369/4885ALDH1A1 1391/4885

“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.