SCHEMBL16727581

SCHEMBL16727581

c1ccc2c(c1)-c1ccccc1C21C(c2nc3ccccc3s2)CCC1c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CHRNA7 P36544 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPY5R Q15761 1/20 0.38
HDAC4 P56524 2/20 0.38
UBE2M P61081 5/20 0.38
DCUN1D1 Q96GG9 5/20 0.38

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
SCHEMBL9533470 0.72 KMT2A (0.77) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL8092653 0.70 CHRNA7 (0.49) KMT2AMEN1CHRNA7SMN1; SMN2CYP1A2
SCHEMBL5637621 0.69 KMT2A (0.73) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL1744058 0.69 KMT2A (0.73) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL30702394 0.68 KMT2A (0.71) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL28919884 0.68 KMT2A (0.71) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL816962 0.68 KMT2A (0.71) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2139183 0.68 MEN1 (0.49) KMT2AMEN1CHRNA7SMN1; SMN2CYP1A2
SCHEMBL20305800 0.68 CHRNA7 (0.47) KMT2AMEN1CHRNA7SMN1; SMN2CYP1A2
SCHEMBL6612905 0.68 MEN1 (0.46) KMT2AMEN1CHRNA7SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376428-B2 Methods for producing organic light emitting diode (OLED) materials LOMOX LIMITED (GB) 2016-06-28 US disclosed
US-9376428-B2 Methods for producing organic light emitting diode (OLED) materials LOMOX LIMITED (GB) 2016-06-28 US disclosed
US-20150141656-A1 METHODS FOR PRODUCING ORGANIC LIGHT EMITTING DIODE (OLED) MATERIALS LOMOX LIMITED (GB) 2015-05-21 US disclosed
US-20150141656-A1 METHODS FOR PRODUCING ORGANIC LIGHT EMITTING DIODE (OLED) MATERIALS LOMOX LIMITED (GB) 2015-05-21 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-20150141656-A1 METHODS FOR PRODUCING ORGANIC LIGHT EMITTING DIODE (OLED) MATERIALS AOX1, OCIAD1, OPRD1 KMT2A 2614/4885MEN1 2949/4885CHRNA7 3657/4885

“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.