SCHEMBL7520382

SCHEMBL7520382

NC(Cc1nc2ccc(F)cc2s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
HTR7 P34969 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR2C P28335 2/20 0.40
MLYCD O95822 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR1D P28221 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HTR1A P08908 2/20 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
SCHEMBL27565727 0.87 NPC1 (0.46) SMN1; SMN2MAPTHTR7LMNAALDH1A1
Bromide SCHEMBL27545758 0.86 NPC1 (0.46) SMN1; SMN2MAPTHTR7LMNAALDH1A1
SCHEMBL7775460 0.85 NPC1 (0.48) DHFRSMN1; SMN2MAPTKMT2AMEN1
Bromide SCHEMBL7857772 0.84 NPC1 (0.47) DHFRSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL27565741 0.80 NPC1 (0.43) SMN1; SMN2MAPTKMT2AMEN1HTR7
SCHEMBL7520379 0.80 IGF1R (0.46) DHFRSMN1; SMN2MAPTKMT2APOLB
SCHEMBL7775417 0.80 DRD2 (0.45) SMN1; SMN2MAPTKMT2AMEN1HTR7
Bromide SCHEMBL27565694 0.79 NPC1 (0.42) SMN1; SMN2MAPTKMT2AMEN1HTR7
SCHEMBL7856234 0.78 OGA (0.43) SMN1; SMN2MAPTKMT2AMEN1HTR7
Benzene SCHEMBL27545639 0.77 NPC1 (0.42) SMN1; SMN2MAPTKMT2AMEN1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP claimed
WO-2000018767-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO claimed
WO-2000018767-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 WO claimed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US disclosed
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP disclosed
WO-2000018767-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO disclosed
WO-2000018767-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 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 (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-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands CHRNA7, HTR7, OPRD1 DHFR 3228/4885SMN1; SMN2 603/4885MAPT 1395/4885

“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.