SCHEMBL22457745

SCHEMBL22457745

CCCCN[C@@H](Cc1cccc(OC)c1)NC(=O)c1ccc2ncccc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
PLK1 P53350 1/20 0.45
CCR1 P32246 1/20 0.43
DRD4 P21917 1/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
PTAFR P25105 1/20 0.40

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
SCHEMBL22441365 0.86 TAS1R3 (0.50) TAS1R3TAS1R1RAB9ANPC1ALOX15
SCHEMBL22441369 0.86 TAS1R3 (0.50) TAS1R3TAS1R1RAB9ANPC1ALOX15
SCHEMBL22457601 0.84 ROCK1 (0.45) TAS1R3TAS1R1HPGDCYP3A4
SCHEMBL22458106 0.82 GRM4 (0.51) RAB9ANPC1HTTHPGDKMT2A
SCHEMBL22457822 0.80 KMT2A (0.45) RAB9ANPC1HPGDPOLBALDH1A1
SCHEMBL22457756 0.80 PTAFR (0.47) RAB9ANPC1POLBALDH1A1KMT2A
SCHEMBL22458123 0.76 RAB9A (0.45) RAB9ANPC1HPGDALDH1A1
SCHEMBL22458087 0.75 SMN1; SMN2 (0.52) RAB9ANPC1HTTALDH1A1KMT2A
SCHEMBL5007649 0.75 ROCK2 (0.63) TAS1R3TAS1R1MAPK1CYP3A4
SCHEMBL24177409 0.75 ALDH1A1 (0.48) RAB9ANPC1POLBALDH1A1KMT2A

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
US-20220002280-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2022-01-06 US disclosed
US-11040964-B2 Compounds and methods of use Ferro Therapeutics, Inc. (US) 2021-06-22 US disclosed
US-20200299283-A1 COMPOUNDS AND METHODS OF USE BRIDGEBIO PHARMA, INC. 2020-09-24 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 (3 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-20220002280-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 TAS1R3 3730/4885TAS1R1 3650/4885RAB9A 2446/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 TAS1R3 3730/4885TAS1R1 3650/4885RAB9A 2446/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 TAS1R3 3730/4885TAS1R1 3650/4885RAB9A 2446/4885

“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.