SCHEMBL13644154

SCHEMBL13644154

CCC(C)CNCc1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.41
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL12102056 0.86 P2RX7 (0.48) P2RX7ALDH1A1PLA2G1BKMT2ANPSR1
SCHEMBL13995722 0.83 P2RX7 (0.41) P2RX7ALDH1A1PLA2G1BKMT2ANPSR1
SCHEMBL13644157 0.80 CYP2D6 (0.44) P2RX7ALDH1A1PLA2G1BKMT2ANPSR1
SCHEMBL31136802 0.80 CYP2D6 (0.44) P2RX7ALDH1A1PLA2G1BKMT2ANPSR1
SCHEMBL24973959 0.79 NPC1 (0.39) P2RX7HTR2CSLC6A4ALDH1A1HSD17B10
SCHEMBL19954188 0.79 HTT (0.45) P2RX7CYP2D6PKMCYP2C19
SCHEMBL15055515 0.79 KMT2A (0.51) P2RX7HTR2CSLC6A4KMT2A
SCHEMBL13995328 0.78 P2RX7 (0.43) P2RX7
SCHEMBL19954232 0.76 HTR2C (0.43) P2RX7HTR2CSLC6A4CYP2D6PKM
SCHEMBL12312605 0.76 P2RX7 (0.44) P2RX7ALDH1A1KMT2ACYP2D6CYP2C19

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-20120283300-A1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS SNU R&DB FOUNDATION (KR) 2012-11-08 — — 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-20120283300-A1 USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS MKI67, KISS1R, NPY1R P2RX7 734/4885HTR2C 3378/4885SLC6A4 3311/4885

“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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