SCHEMBL20186811

SCHEMBL20186811

C#CCCC1c2c(c3cc(OC)ccc3n2[Si](C)(C)C(C)(C)C)CCN1C(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ AKR1B10 O60218 2/20 0.34
▸ AKR1B1 P15121 2/20 0.34
▸ AKR1A1 P14550 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ RBP4 P02753 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL20186810 0.88 AKR1B10 (0.33) LMNAAKR1B10AKR1B1AKR1A1MTNR1B
SCHEMBL18201257 0.86 ABCB1 (0.35) AKR1B10AKR1B1MTNR1BRBP4HDAC1
SCHEMBL20186659 0.77 HTR7 (0.36) SLC6A4MAOAMAOB
SCHEMBL20186695 0.75 ABCB1 (0.38) LMNAAKR1B10AKR1B1ESR1ESR2
SCHEMBL20186663 0.72 ABCG2 (0.41) LMNASMN1; SMN2ELANE
SCHEMBL20186647 0.69 HTR6 (0.37) LMNASMN1; SMN2
SCHEMBL20204833 0.64 MEN1 (0.52) LMNA
SCHEMBL18201331 0.64 MEN1 (0.52) LMNA
SCHEMBL20186640 0.64 NOD1 (0.36) LMNASMN1; SMN2HSD11B1
SCHEMBL6242196 0.62 MAPKAPK2 (0.58) TP53SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288921-B1 POLYCYCLIC INDOLINE AND INDOLENINE COMPOUNDS UNIV COLORADO REGENTS (US) 2022-06-15 — — EP disclosed
US-10253024-B2 Polycyclic indoline and indolenine compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-04-09 — — US disclosed
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-05-31 — — 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 (2 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-10253024-B2 Polycyclic indoline and indolenine compounds IDO1, IDO2, INMT TP53 3947/4885LMNA 2907/4885AKR1B10 3606/4885
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds IDO1, IDO2, INMT TP53 3947/4885LMNA 2907/4885AKR1B10 3606/4885

“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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