SCHEMBL18655577

SCHEMBL18655577

CCCn1c2ccccc2c2cc3ccccc3nc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.67
▸ CASP1 P29466 5/20 0.67
▸ CASP7 P55210 5/20 0.67
▸ TSHR P16473 5/20 0.67
▸ USP2 O75604 4/20 0.67
▸ TDP1 Q9NUW8 4/20 0.67
▸ LMNA P02545 4/20 0.67
▸ MAPK1 P28482 4/20 0.67
▸ POLB P06746 3/20 0.67
▸ ALOX15 P16050 3/20 0.67
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ RAD52 P43351 1/20 0.52
▸ SMARCA2 P51531 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.50
▸ L3MBTL1 Q9Y468 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ TP53 P04637 2/20 0.50

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
SCHEMBL19271263 0.88 MAPT (0.65) MAPTCASP1CASP7TSHRUSP2
SCHEMBL27165249 0.87 TOP2A (0.56) MAPTCASP1CASP7TSHRUSP2
SCHEMBL18655578 0.86 MAPT (0.53) MAPTCASP1CASP7TSHRUSP2
SCHEMBL17274871 0.85 POLB (0.56) MAPTCASP1CASP7TSHRUSP2
SCHEMBL18655576 0.85 MAPT (0.57) MAPTCASP1CASP7TSHRUSP2
SCHEMBL17274752 0.83 MAPT (0.64) MAPTCASP1CASP7TSHRUSP2
SCHEMBL5530202 0.80 TSHR (1.00) MAPTCASP1CASP7TSHRUSP2
SCHEMBL9394688 0.80 KDM4E (0.59) MAPTCASP1CASP7TSHRUSP2
SCHEMBL29202695 0.78 GAA (0.49) MAPTCASP1CASP7TSHRUSP2
SCHEMBL17286208 0.76 MAPT (0.54) MAPTCASP1CASP7TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT MEDICAL UNIVERSITY OF SOUTH CAROLINA 2017-03-23 — — 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-20170081328-A1 AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT AZI2, DNMT1, TET3 MAPT 3584/4885CASP1 4238/4885CASP7 1476/4885

“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.

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