SCHEMBL18201331

SCHEMBL18201331

C#CCC[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ PKM P14618 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ MAPT P10636 4/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ABCB1 P08183 4/20 0.48
▸ ABCG2 Q9UNQ0 4/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 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
SCHEMBL20204833 1.00 MEN1 (0.52) MEN1KMT2APKMKDM4EMAPT
SCHEMBL20186695 0.74 ABCB1 (0.38) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL18201257 0.73 ABCB1 (0.35) KDM4EABCB1ABCG2
SCHEMBL10856970 0.70 KIF11 (0.54) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL10859605 0.70 ABCG2 (0.54) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL11115155 0.69 ABCG2 (0.53) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL10857916 0.69 ABCB1 (0.50) MEN1KMT2APKMKDM4EMAPT
SCHEMBL10855792 0.69 ABCG2 (0.52) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL10855318 0.68 KDM4E (0.52) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL10815662 0.68 ABCG2 (0.52) MEN1KMT2AKDM4EMAPTPOLB

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
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
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-05-31 — — US disclosed
WO-2016176634-A1 POLYCYCLIC INDOLINE AND INDOLENINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2016-11-03 — — 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 (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 MEN1 760/4885KMT2A 1088/4885PKM 4034/4885
US-20180148442-A1 Polycyclic Indoline and Indolenine Compounds IDO1, IDO2, INMT MEN1 760/4885KMT2A 1088/4885PKM 4034/4885

“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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