SCHEMBL19822092

SCHEMBL19822092

CCCC(C)Cc1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19976457 0.86 ALDH1A1 (0.44) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL23011933 0.81 ALDH1A1 (0.41) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL3078167 0.81 ALDH1A1 (0.46) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL24973095 0.81 KMT2A (0.41) GAAMAPTLMNASMN1; SMN2
SCHEMBL8245704 0.80 ALDH1A1 (0.47) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL3086043 0.79 ALDH1A1 (0.41) ALDH1A1GAAMAPTL3MBTL1KDM4E
SCHEMBL24974211 0.79 CYP11B1 (0.37)
SCHEMBL18924321 0.79 CPB2 (0.50)
SCHEMBL24105600 0.78 HRH3 (0.39) ALDH1A1MAPTL3MBTL1KDM4ELMNA
SCHEMBL20361778 0.77 ALDH1A1 (0.43) ALDH1A1GAAMAPTL3MBTL1KDM4E

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-10183015-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-22 US disclosed
US-20180051013-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-22 US disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 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-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 ALDH1A1 779/4885GAA 614/4885MAPT 4172/4885
US-10183015-B2 Heterocyclic compounds and methods of use LIPC, CPT1A, FABP1 ALDH1A1 779/4885GAA 614/4885MAPT 4172/4885
US-20180051013-A1 Heterocyclic Compounds and Methods of Use HRAS, VHL, ESRRB ALDH1A1 2384/4885GAA 1702/4885MAPT 4672/4885

“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.