SCHEMBL21479997

SCHEMBL21479997

CCN(C(=O)CCc1ccncc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.56
LTB4R2 Q9NPC1 4/20 0.47
NPY5R Q15761 1/20 0.47
KDM4E B2RXH2 1/20 0.46
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP13 P45452 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 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
SCHEMBL4161430 0.81 MLYCD (0.68) MLYCDALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL27654625 0.76 ALDH1A1 (0.60) LTB4R2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4153701 0.76 MLYCD (0.59) MLYCDLTB4R2ALDH1A1HPGDSMN1; SMN2
SCHEMBL8791607 0.74 ALDH1A1 (0.53) MLYCDLTB4R2KDM4EALDH1A1HPGD
SCHEMBL8699095 0.73 MLYCD (0.64) MLYCDNPY5RKDM4EFFAR1ALDH1A1
SCHEMBL4558654 0.73 MLYCD (0.58) MLYCDLTB4R2ALDH1A1HPGDSMN1; SMN2
SCHEMBL26428573 0.72 ROCK2 (0.52) KDM4EALDH1A1MMP13TSHR
SCHEMBL11958358 0.72 KMT2A (0.51) NPY5RKDM4EFFAR1ALDH1A1SMN1; SMN2
SCHEMBL11262493 0.72 ALDH1A1 (0.58) LTB4R2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2202823 0.72 KDM4E (0.62) MLYCDNPY5RKDM4EALDH1A1HPGD

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-10660881-B2 Compounds and compositions for inducing chondrogenesis NOVARTIS AG (CH) 2020-05-26 US disclosed
US-20190314348-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2019-10-17 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-20190314348-A1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS FGF1, COL2A1, FGFR3 MLYCD 3028/4885LTB4R2 1963/4885NPY5R 2079/4885
US-10660881-B2 Compounds and compositions for inducing chondrogenesis FGF1, COL2A1, FGFR3 MLYCD 3028/4885LTB4R2 1963/4885NPY5R 2079/4885

“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.