SCHEMBL16693559

SCHEMBL16693559

Cc1cc(C(=O)Nc2ccccc2)n(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ KDM1A O60341 3/20 0.52
▸ RCOR1 Q9UKL0 3/20 0.52
▸ NPC1 O15118 5/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ MAPT P10636 3/20 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
▸ POLB P06746 2/20 0.48
▸ HPGD P15428 3/20 0.47
▸ DNM1L O00429 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45

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
SCHEMBL27296169 0.84 POLB (0.49) RAB9AMEN1KMT2AKDM1ARCOR1
SCHEMBL16693550 0.83 NAMPT (0.64) RAB9AKDM1ARCOR1NPC1SMN1; SMN2
SCHEMBL20086571 0.83 KDM1A (0.51) RAB9AMEN1KMT2AKDM1ARCOR1
SCHEMBL14379376 0.83 TOP1 (0.43) RAB9AMEN1KMT2AKDM1ARCOR1
SCHEMBL16691871 0.83 KDM1A (0.51) RAB9AMEN1KMT2AKDM1ARCOR1
SCHEMBL16691853 0.81 THRB (0.52) RAB9AMEN1KMT2AKDM1ARCOR1
SCHEMBL18407900 0.81 HTT (0.52) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL19350927 0.79 TOP1 (0.43) MAPTPOLBLMNATP53THRB
SCHEMBL18407966 0.79 BACE1 (0.56) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL21727504 0.78 BACE1 (0.58) RAB9AMEN1KMT2ANPC1SMN1; SMN2

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 RAB9A 1063/4885MEN1 1497/4885KMT2A 1453/4885

“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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