SCHEMBL4900580

SCHEMBL4900580

O=C(NCCCCNCCc1ccc(F)cc1)Nc1ccc(F)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.60
KMT2A Q03164 3/20 0.58
RAB9A P51151 3/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
FPR2 P25090 1/20 0.53
PRMT3 O60678 1/20 0.53
CCR3 P51677 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NAMPT P43490 1/20 0.49
MARS1 P56192 1/20 0.48

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
SCHEMBL4900931 0.79 CNR1 (0.68) CNR1KMT2ARAB9AMAPTNPC1
SCHEMBL4900572 0.79 CCR3 (0.62) CNR1KMT2ARAB9AFPR2PRMT3
SCHEMBL4605025 0.78 KMT2A (0.50) CNR1KMT2ARAB9AMAPTNPC1
SCHEMBL4604479 0.78 SLC6A3 (0.48) CNR1KMT2ARAB9AMAPTNPC1
SCHEMBL12989331 0.76 RECQL (0.78) KMT2ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL23646267 0.76 EPHX1 (0.66) KMT2ARAB9ACCR3SMN1; SMN2RECQL
SCHEMBL23646198 0.76 EPHX1 (0.66) KMT2ARAB9ACCR3SMN1; SMN2RECQL
SCHEMBL23646271 0.76 EPHX1 (0.66) KMT2ARAB9ACCR3SMN1; SMN2RECQL
SCHEMBL31372373 0.76 EPHX1 (0.66) KMT2ARAB9ACCR3SMN1; SMN2RECQL
SCHEMBL31372218 0.76 EPHX1 (0.66) KMT2ARAB9ACCR3SMN1; SMN2RECQL

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-20080096943-A1 Organic Compunds BHALAY GURDIP 2008-04-24 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-20080096943-A1 Organic Compunds CCR3, CCR1, CCR4 CNR1 236/4885KMT2A 4263/4885RAB9A 3022/4885

“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.