SCHEMBL24017992

SCHEMBL24017992

O=C(Nc1ccc(Cl)cc1)C1[C@H]2CC(O)C[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.69
NPC1 O15118 6/20 0.69
HTT P42858 3/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
PPM1B O75688 1/20 0.50
POLB P06746 3/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
P2RX7 Q99572 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL24018131 0.79 NPC1 (0.56) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL24018345 0.79 NPC1 (0.56) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL17730000 0.75 KMT2A (0.64) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL24018420 0.74 PDK1 (0.49) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL7814775 0.73 POLB (0.74) RAB9ANPC1KMT2AMEN1LMNA
SCHEMBL9342656 0.73 KMT2A (0.72) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL10768094 0.71 RAB9A (0.71) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL1026317 0.71 POLB (0.49) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL2089303 0.71 RAB9A (0.52) RAB9ANPC1HTTKMT2AMEN1
SCHEMBL9198985 0.70 PTPN1 (0.71) RAB9ANPC1HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 US disclosed
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 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-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 RAB9A 2473/4885NPC1 2403/4885HTT 1325/4885

“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.