SCHEMBL4351971

SCHEMBL4351971

CN(CCC#N)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 1/20 0.52
MLYCD O95822 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.45
CTSL P07711 1/20 0.44
CTSS P25774 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
SCHEMBL2901805 0.86 ALDH1A1 (0.51) ALDH1A1MAPTMLYCDCYP1A2CYP3A4
SCHEMBL10906184 0.83 MLYCD (0.48) ALDH1A1MAPTMLYCDCYP1A2CYP3A4
SCHEMBL23854640 0.83 CYP1A2 (0.67) ALDH1A1MAPTMLYCDCYP1A2CYP3A4
SCHEMBL3244975 0.83 ALDH1A1 (0.52) ALDH1A1MAPTMLYCDCYP1A2CYP3A4
SCHEMBL11210779 0.83 KMT2A (0.56) ALDH1A1MLYCDKMT2ACDK4CCND1
SCHEMBL10802118 0.82 KMT2A (0.49) ALDH1A1MLYCDKMT2ACDK4CCND1
SCHEMBL11531217 0.82 ALDH1A1 (0.70) ALDH1A1MAPTMLYCDCYP1A2CYP3A4
SCHEMBL22858927 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMLYCDCYP1A2CYP3A4
SCHEMBL11168375 0.81 MLYCD (0.51) ALDH1A1MLYCDCYP1A2CYP3A4CYP2D6
SCHEMBL4338643 0.80 MLYCD (0.68) ALDH1A1MAPTMLYCDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
EP-3994136-A1 PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BeiGene, Ltd. (KY) 2022-05-11 EP disclosed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 WO disclosed
US-4341893-A HYPOTENSIVE AGENTS SYNTHELABO (FR) 1982-07-27 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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 ALDH1A1 3647/4885MAPT 4392/4885MLYCD 759/4885

“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.