SCHEMBL19212415

SCHEMBL19212415

N#CC1(c2ccc(F)c([N+](=O)[O-])c2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HIF1A Q16665 1/20 0.42
VCAM1 P19320 1/20 0.40
RAC1 P63000 1/20 0.39
MAPT P10636 11/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 2/20 0.36
MITF O75030 1/20 0.36
ESPL1 Q14674 1/20 0.34

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
SCHEMBL30783398 1.00 ALDH1A1 (0.42) ALDH1A1HIF1AVCAM1RAC1MAPT
SCHEMBL19212399 0.90 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1MAPTNPSR1
SCHEMBL30783402 0.90 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1MAPTNPSR1
SCHEMBL29954032 0.88 ALDH1A1 (0.45) ALDH1A1HIF1AVCAM1MAPTNPSR1
SCHEMBL9913570 0.88 ALDH1A1 (0.45) ALDH1A1HIF1AVCAM1MAPTNPSR1
SCHEMBL30783403 0.88 ALDH1A1 (0.45) ALDH1A1HIF1AVCAM1MAPTNPSR1
SCHEMBL19212377 0.88 ALDH1A1 (0.45) ALDH1A1HIF1AVCAM1MAPTNPSR1
SCHEMBL19212402 0.81 ALDH1A1 (0.44) ALDH1A1HIF1AVCAM1RAC1MAPT
SCHEMBL30783385 0.81 ALDH1A1 (0.44) ALDH1A1HIF1AVCAM1RAC1MAPT
SCHEMBL625872 0.80 SLC6A4 (0.38) ALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2024-04-30 US disclosed
CN-113896685-B Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2024-02-06 CN disclosed
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
EP-3414224-B1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-03-23 EP disclosed
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC (US) 2022-02-24 US disclosed
CN-113896685-A Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2022-01-07 CN disclosed
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) INVENTISBIO LLC (US) 2021-04-20 US disclosed
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2020-02-13 US disclosed
EP-3414224-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) Inventisbio Inc. (KY) 2018-12-19 EP disclosed
WO-2017139414-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO INC. (KY) 2017-08-17 WO disclosed
WO-2017139414-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO INC. (KY) 2017-08-17 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 (5 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-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885
US-11969425-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885
US-20220054486-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885
US-20200046697-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885
US-10980807-B2 Inhibitor of indoleamine-2,3-dioxygenase (IDO) IDO1, IDO2, INMT ALDH1A1 801/4885HIF1A 2346/4885VCAM1 2572/4885

“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.