SCHEMBL16693549

SCHEMBL16693549

Cc1cc(C(=O)Nc2ccc3oc(F)cc3c2)n(C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.46
▸ MAOB P27338 8/20 0.42
▸ F12 P00748 7/20 0.42
▸ HRAS P01112 4/20 0.39
▸ ESR1 P03372 4/20 0.39
▸ ESR2 Q92731 4/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 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
SCHEMBL16693618 0.80 BACE1 (0.48) BACE1MAOBF12RAB9ANPC1
SCHEMBL18407966 0.78 BACE1 (0.56) BACE1MAOBRAB9ANPC1ALDH1A1
SCHEMBL21727504 0.77 BACE1 (0.58) BACE1MAOBRAB9ANPC1THRB
SCHEMBL26725622 0.76 HRAS (0.51) BACE1HRASESR1ESR2RAB9A
SCHEMBL16693581 0.76 BACE1 (0.48) BACE1MAOBRAB9ANPC1THRB
SCHEMBL20581209 0.73 HRAS (0.49) MAOBF12HRASESR1ESR2
SCHEMBL22564872 0.72 GRM4 (0.52) BACE1MAOBALDH1A1
SCHEMBL16693559 0.72 RAB9A (0.54) RAB9ANPC1THRBALDH1A1MAPT
SCHEMBL20581348 0.72 HRAS (0.49) HRASESR1ESR2RAB9ANPC1
SCHEMBL26725555 0.71 BACE1 (0.48) BACE1RAB9ANPC1THRBALDH1A1

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-9321774-B2 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2016-04-26 — — US disclosed
US-20150126495-A1 PYRROLOBENZODIAZEPINES MEDIMMUNE LIMITED (GB) 2015-05-07 — — 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-20150126495-A1 PYRROLOBENZODIAZEPINES CHRM1, CHRM2, CHRM3 BACE1 3215/4885MAOB 513/4885F12 640/4885

“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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