SCHEMBL18155076

SCHEMBL18155076

O=C(c1cccs1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ LMNA P02545 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ TSHR P16473 4/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL18155097 0.84 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL16654050 0.74 LMNA (0.49) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL5312985 0.66 S1PR1 (0.70) MEN1KMT2ANPC1RAB9A
SCHEMBL12433080 0.66 RAB9A (0.57) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL9960053 0.65 SMN1; SMN2 (0.46) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL9960048 0.65 SMN1; SMN2 (0.46) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL2751428 0.64 TSHR (0.48) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL29068563 0.64 RAB9A (0.57) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL202308 0.64 RAB9A (0.57) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL15426186 0.63 LMNA (0.64) ALDH1A1LMNAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086735-A1 N-CYCLOALKYL-N-(BIHETEROCYCLYETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 — — US disclosed
EP-3283476-A1 N-CYCLOALKYL-N-(BIHETEROCYCLYETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2018-02-21 — — EP disclosed
WO-2016166077-A1 N-CYCLOALKYL-N-(BIHETEROCYCLYETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-20 — — 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-20180086735-A1 N-CYCLOALKYL-N-(BIHETEROCYCLYETHYLENE)-(THIO)CARBOXAMIDE DERIVATIVES CBR3, CYP51A1, CBR1 ALDH1A1 3823/4885LMNA 2944/4885MEN1 4168/4885

“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.

Send feedback