Sugi Predict

Sugi Predict / Compounds / SCHEMBL7532632

SCHEMBL7532632

SCHEMBL7532632

Cc1cc(Cl)ccc1Nc1c(C)nn(C)c1NCC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 2/20 0.37
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL7530442 0.82 KMT2A (0.41) POLBRAB9ASMN1; SMN2HPGDMEN1
SCHEMBL7531237 0.77 SMN1; SMN2 (0.44) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7530709 0.74 CA12 (0.41) POLBSMN1; SMN2HPGDMAPTGAA
SCHEMBL7533638 0.69 — —
SCHEMBL7531783 0.69 MAPT (0.38) SMN1; SMN2MAPTLMNAGALR3HTT
SCHEMBL7532592 0.67 ADRA2C (0.39) POLBALDH1A1RAB9AGAA
SCHEMBL7531677 0.66 SMN1; SMN2 (0.40) POLBALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL7530171 0.65 GAA (0.42) MAPTGAAP2RX7
SCHEMBL8611589 0.65 CYP3A4 (0.42) POLBALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7527986 0.65 NUDT1 (0.36) —

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
US-20020032198-A1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2002-03-14 — — US claimed
US-6319941-B1 TREATMENT OF SMOOTH MUSCLE SPASTICITY OR EXCESS MUSCLE CONTRACTION SUCH AS URGE URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-11-20 — — US claimed
US-6458823-B1 4,5-DIAMINO DERIVATIVES OF (1H)- PYRAZOLES AND THEIR USE IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, WHICH INCLUDE, URINARY INCONTINENCE, HYPERTENSION, ASTHAMA, PREMATURE LABOR, IRRITABLE BOWL SYNDROM WYETH 2002-10-01 — — US disclosed
US-20020032198-A1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2002-03-14 — — US disclosed
US-6319941-B1 TREATMENT OF SMOOTH MUSCLE SPASTICITY OR EXCESS MUSCLE CONTRACTION SUCH AS URGE URINARY INCONTINENCE AMERICAN HOME PRODUCTS CORPORATION 2001-11-20 — — US disclosed
US-6313149-B1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2001-11-06 — — US disclosed
US-6172222-B1 Diaminopyrazoles AMERICAN HOME PRODUCTS CORPORATION 2001-01-09 — — 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-20020032198-A1 Diaminopyrazoles ODC1, AOC1, CLIC1 RAPGEF4 4877/4885POLB 1685/4885ALDH1A1 255/4885

“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.