SCHEMBL18917851

SCHEMBL18917851

CC(C)(C)OC(=O)NCCCn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ AR P10275 1/20 0.42
▸ KRAS P01116 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MGLL Q99685 1/20 0.41

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
SCHEMBL3414187 0.95 BRD4 (0.49) BRD4SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL4748489 0.83 AR (0.42) BRD4SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL17997425 0.83 MTNR1A (0.60) BRD4MTNR1AMTNR1BMAPTNPC1
SCHEMBL31294757 0.82 GLS (0.55) BRD4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18938904 0.81 MTNR1A (0.44) BRD4MTNR1AMTNR1B
SCHEMBL18927041 0.81 BRD4 (0.49) BRD4SMN1; SMN2MTNR1AMTNR1B
SCHEMBL17294058 0.81 CYP2A6 (0.44) BRD4MTNR1AMTNR1B
SCHEMBL18927042 0.81 CAMK2D (0.47) BRD4SMN1; SMN2KRASMAPTNPC1
SCHEMBL18935520 0.81 BRD4 (0.49) BRD4MTNR1AMTNR1BMGLL
SCHEMBL31129868 0.79 SMN1; SMN2 (0.55) BRD4SMN1; SMN2LMNAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 — — WO disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 — — WO disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 — — US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 — — US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 — — 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS BRD4 359/4885SMN1; SMN2 4055/4885LMNA 2826/4885

“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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