SCHEMBL11545107

SCHEMBL11545107

COc1cccc2[nH]cc(C(C)=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.56
▸ MTNR1B P49286 1/20 0.56
▸ PBRM1 Q86U86 1/20 0.56
▸ HTR2A P28223 2/20 0.50
▸ NR4A2 P43354 2/20 0.50
▸ KIF20A O95235 1/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ CTNNB1 P35222 1/20 0.49
▸ WNT3A P56704 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7359725 0.87 KDM4E (0.55) MTNR1AMTNR1BHTR2ANR4A2KIF20A
SCHEMBL5329797 0.86 NR4A2 (0.68) MTNR1AMTNR1BHTR2ANR4A2KIF20A
SCHEMBL11791315 0.86 NR4A2 (0.52) MTNR1AMTNR1BPBRM1HTR2ANR4A2
SCHEMBL25792506 0.86 SLC22A6 (0.58) MTNR1AMTNR1BPBRM1NR4A2CTNNB1
SCHEMBL5102654 0.86 HTR2A (0.52) MTNR1AMTNR1BHTR2ANR4A2KIF20A
SCHEMBL24995079 0.83 HTR2A (0.51) MTNR1AMTNR1BHTR2ANR4A2KIF20A
SCHEMBL19997209 0.83 CTNNB1 (0.52) MTNR1AMTNR1BHTR2ANR4A2KIF20A
SCHEMBL17321397 0.83 MTNR1A (0.52) MTNR1AMTNR1BHTR2ANR4A2KIF20A
SCHEMBL6031099 0.83 MTNR1A (0.52) MTNR1AMTNR1BHTR2ANR4A2KIF20A
SCHEMBL8578221 0.83 SLC22A6 (0.58) MTNR1AMTNR1BPBRM1HTR2ANR4A2

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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 — — US disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 — — US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 — — US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 — — 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 MTNR1A 2167/4885MTNR1B 1758/4885PBRM1 1067/4885

“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